33 results on '"Yao, Ting"'
Search Results
2. Electrostatic-field-triggered stress in the lithiation of carbon-coated silicon
- Author
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Min He, Fu-Zhen Xuan, Yao-Ting Zheng, Guangxu Cheng, Zaoxiao Zhang, and Zhengdong Wang
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Work (thermodynamics) ,Materials science ,Silicon ,Renewable Energy, Sustainability and the Environment ,Energy Engineering and Power Technology ,Charge density ,chemistry.chemical_element ,02 engineering and technology ,Crystal structure ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,Lithium-ion battery ,0104 chemical sciences ,Stress (mechanics) ,chemistry ,Chemical physics ,Electric field ,Carbon coating ,Electrical and Electronic Engineering ,Physical and Theoretical Chemistry ,0210 nano-technology - Abstract
The traditional viewpoint “the more the lithiation reaction, the bigger the growth stress” is proved to be improper through the simulation of lithiation reaction of carbon-coated silicon particle in the presence of electrostatic field. In the simulation, a positive correlation between growth stresses and charge density is observed and coincides with the experiment results in Pharr's work. Simulation results also indicate that the growth stresses consist of lithiation-reaction-induced stress (LRIS) and field-triggered stress (FTS). FTS is always neglected but can be comparable to, or even bigger than the LRIS in the initial stage of lithiation reaction. The physical mechanism for the formation of FTS is uncovered based on the standpoint of energy conservation and transformation. The FTS needs to be considered seriously because it can bring much more serious damage to the lattice structure of silicon especially in the development of lithium ion battery featuring rapid charging.
- Published
- 2020
3. Influence of Nitrogen Atmosphere Annealing on Structural and Transport Properties of Fe1.125Te
- Author
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Yue Hua An, Guo Feng Wang, Zhen Ping Wu, Ling Hong Li, Pei Gang Li, Yao Ting Huang, Yu Jiang Li, Chang Long Sun, and Weihua Tang
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Superconductivity ,Materials science ,business.industry ,Annealing (metallurgy) ,Alloy ,General Engineering ,Analytical chemistry ,chemistry.chemical_element ,Crystal structure ,engineering.material ,Nitrogen ,Metal ,Crystallography ,Semiconductor ,Lattice constant ,chemistry ,visual_art ,visual_art.visual_art_medium ,engineering ,business - Abstract
Fe1.125Te alloys had been synthesized by solid state reaction methods. The effects of nitrogen annealing on Fe1.125Te lattice structure and physical properties had been studied. It was found that the lattice constants a and c increased after annealed at temperature 400~600 oC. When the temperature is above 850 oC, the size of the unit cell returns to the similar size of original samples. The step-like magnetic-thermal curves were observed after annealed at 900 oC, which is associated with two magnetic transitions. In vacuum, the transition temperatures are 122 K and 128 K, while in the nitrogen, they are 122 K and 138 K. The resistance-temperature curves indicate a semiconductor to metal transition around 69 K for N2 atmosphere.
- Published
- 2014
4. Strong optical limiting effects of two Ag(I)-bridged metal-organic polymers
- Author
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Hong Wei Hou, Ying Lin Song, Yao Ting Fan, Xiang Ru Meng, Ming Sheng Tang, and Hong Xu
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chemistry.chemical_classification ,Chemistry ,Stereochemistry ,General Physics and Astronomy ,Crystal structure ,Polymer ,Nanosecond ,Ion ,Metal ,Crystallography ,Zigzag ,visual_art ,Picosecond ,visual_art.visual_art_medium ,Physical and Theoretical Chemistry ,Layer (electronics) - Abstract
Two Ag(I)-bridged metal-organic polymers: 2D double-crossed layer polymer {[Ag(bpfp)] · NO3 · H2O)}n (bpfp = N,N′-bis(3-pyridylformyl)-piperazine) (1) and 1D zigzag chain polymer {[Ag(btx)] · NO3}n (btx = 1,4-bis(triazol-1-ylmethyl)-benzene) (2) have been prepared and structurally characterized by single crystal diffraction. Their third-order nonlinear optical (NLO) properties and optical limiting (OL) effects were determined by Z-scan technique. The results show that both polymers possess strong optical nonlinear absorption and optical nonlinear refraction, and exhibit strong OL effect to nanosecond and picosecond incident pulsed laser. By comparing the optical nonlinearities of the polymers and purely bpfp and btx ligands, we find that the incorporation of Ag ion can largely enhance the optical nonlinearities of organic molecules attached. DFT calculation further confirms the corporate contributions of Ag ions and bridge ligands to the optical nonlinearities.
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- 2009
5. Multiethynyl Corannulenes: Synthesis, Structure, and Properties
- Author
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Jay S. Siegel, Kim K. Baldridge, Anthony Linden, Yao‐Ting Wu, Davide Bandera, and Roman Maag
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Stereochemistry ,Aryl ,Ab initio ,General Chemistry ,Crystal structure ,Biochemistry ,Catalysis ,chemistry.chemical_compound ,Crystallography ,Colloid and Surface Chemistry ,chemistry ,Corannulene ,Polar ,Molecule ,Density functional theory ,Luminescence - Abstract
Syntheses, crystal structures, ab initio density functional theory computations, and photophysical properties of 1,6-di-, 1,2,5,6-tetra-, and 1,3,5,7,9-pentaethynyl-substituted corannulenes (classes 3, 4, and 5, respectively) are reported. Classes 3 and 4 were prepared from the corresponding corannulenyl bromides and terminal alkynes in excellent yields (nine examples, with yields of 57-92%) using the Sonogarshira reaction. Class 5 was prepared from 1,3,5,7,9-pentacholorocorannulene and trimethylalkynylstannanes using a modification of Nolan's procedure (8 examples, with yields of 45-93%). The molecular packing in crystals of 1,6-diphenylethynyl-2,5-dimethylcorannulene (3-Ph2) displays a polar columnar structure with all of the molecule bowls oriented in the same direction. Similarly, 1,2,5,6-tetrakis(3,5-dimethylphenylethynyl)corannulene [4-Ar(c)5] and 1,3,5,7,9-pentakis(3,5-dimethylphenylethynyl)corannulene [5-Ar(c)5] form columnar structures, but the bowls are oriented in opposing directions. Additionally, the number of attached alkynyl arms is correlated with an increase in bowl depth of the corrannulene nucleus. Most of the aryl derivatives displayed high-quantum-efficiency solution luminescence and variable emission wavelengths that were dependent on the nature of the substitution.
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- 2008
6. Synthesis, structures, and physical properties of benzo[k]fluoranthene-based linear acenes
- Author
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Yun Hua Kung, Yi Chan Tsai, Tsun Cheng Wu, Yu Sung Cheng, Chien Chueh Shin, Ming-Yu Kuo, Chih Chung Ma, Chia Cheng Tai, Yao‐Ting Wu, and Wei Szu Liu
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Fluoranthene ,Aryl ,Organic Chemistry ,Ab initio ,General Chemistry ,Crystal structure ,Photochemistry ,Catalysis ,Coupling reaction ,Cycloaddition ,chemistry.chemical_compound ,chemistry ,Computational chemistry ,Molecule ,Density functional theory - Abstract
This work describes the syntheses, crystal structures, photophysical properties, and electro-chemical analyses of benzo[k]fluoranthene-based linear acenes, together with ab initio density functional theory computations on them. The molecules were prepared in generally moderate to good yields through Pd-catalyzed cycloadditions between 1,8-diethynylnaphthalene derivatives and aryl iodides. This protocol is simpler and more efficient than conventional methods. The scope and limitations of this reaction were examined. The structures of compounds 4hb, 15ac, 17ab, 19ac, and 24je were determined by X-ray analysis; they are either bent or twisted, rather than planar. The photophysical and electrochemical properties of these cycloadducts were also investigated and compared with computational predictions based on density functional theory.
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- 2010
7. ChemInform Abstract: Multiethynyl Corannulenes: Synthesis, Structure, and Properties
- Author
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Kim K. Baldridge, Jay S. Siegel, Davide Bandera, Roman Maag, Anthony Linden, and Yao‐Ting Wu
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Crystallography ,chemistry.chemical_compound ,chemistry ,Corannulene ,Aryl ,Ab initio ,Polar ,Molecule ,Density functional theory ,General Medicine ,Crystal structure ,Luminescence - Abstract
Syntheses, crystal structures, ab initio density functional theory computations, and photophysical properties of 1,6-di-, 1,2,5,6-tetra-, and 1,3,5,7,9-pentaethynyl-substituted corannulenes (classes 3, 4, and 5, respectively) are reported. Classes 3 and 4 were prepared from the corresponding corannulenyl bromides and terminal alkynes in excellent yields (nine examples, with yields of 57-92%) using the Sonogarshira reaction. Class 5 was prepared from 1,3,5,7,9-pentacholorocorannulene and trimethylalkynylstannanes using a modification of Nolan's procedure (8 examples, with yields of 45-93%). The molecular packing in crystals of 1,6-diphenylethynyl-2,5-dimethylcorannulene (3-Ph2) displays a polar columnar structure with all of the molecule bowls oriented in the same direction. Similarly, 1,2,5,6-tetrakis(3,5-dimethylphenylethynyl)corannulene [4-Ar(c)5] and 1,3,5,7,9-pentakis(3,5-dimethylphenylethynyl)corannulene [5-Ar(c)5] form columnar structures, but the bowls are oriented in opposing directions. Additionally, the number of attached alkynyl arms is correlated with an increase in bowl depth of the corrannulene nucleus. Most of the aryl derivatives displayed high-quantum-efficiency solution luminescence and variable emission wavelengths that were dependent on the nature of the substitution.
- Published
- 2008
8. Synthesis, structure, and isomerization of decapentynylcorannulene: enediyne cyclization/interconversion of C(40)R(10) isomers
- Author
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Jay S. Siegel, Anthony Linden, Yao‐Ting Wu, Kim K. Baldridge, and Tomoharu Hayama
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Diradical ,Stereochemistry ,Ab initio ,chemistry.chemical_element ,General Chemistry ,Carbon nanotube ,Crystal structure ,Annulene ,Biochemistry ,Catalysis ,law.invention ,Colloid and Surface Chemistry ,chemistry ,law ,Enediyne ,Carbon ,Isomerization - Abstract
Decapentynylcorannulene (5) is prepared via aryl−alkyne coupling chemistry of decachlorocorannulene and trimethylstannylpentyne. The crystal structure of 5 is compared with the ab initio computed structure of decaethynylcorannulene (3). The relative structure and energetics of 3 and its carbon nanotube isomer C40H10 (2) are discussed. Per-alkynyl-polynuclear aromatic hydrocarbons, such as 3, constitute a high energy form of carbon-rich compounds. During the synthesis of 3, enediyne cyclization forms the diradical, which ring-opens to the biscumulenyl [10]annulene (6). Discovery of this process supports the idea that derivatives of 2 could result from corresponding derivatives of 3 through electrocyclic mechanisms and demonstrates a new carbon skeletal rearrangement for strained polynuclear aromatic networks. Derivatives of 3, like 5, warrant further investigation to find viable precursors for monodispersed single-walled carbon-based nanotubes.
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- 2007
9. Formal [(2 + 2) + 2] and [(2 + 2) + (2 + 2)] Nonconjugated Dienediyne Cascade Cycloadditions
- Author
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Jay S. Siegel, Yao‐Ting Wu, and Anthony Linden
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Fluoranthene ,Chemistry ,Norbornadiene ,Organic Chemistry ,chemistry.chemical_element ,General Medicine ,Crystal structure ,Biochemistry ,Medicinal chemistry ,Rhodium ,Catalysis ,Adduct ,chemistry.chemical_compound ,Cascade ,Computational chemistry ,Physical and Theoretical Chemistry - Abstract
[reaction: see text] Fluoranthene 2 and heptacycle 3 are easily accessible from the reaction of diyne 1 and norbornadiene (NBD) in the presence of the rhodium catalyst. The unusual [(2+2)+(2+2)] adduct 3 was confirmed by the X-ray crystal structure analysis.
- Published
- 2006
10. 1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c′:5,6-c′′]trithiophene: a twisted heteroarene
- Author
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Yao‐Ting Wu, Wei Chih Lin, Kim K. Baldridge, and Chia Cheng Tai
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Models, Molecular ,Molecular Structure ,Chemistry ,Organic Chemistry ,Thiophenes ,Crystal structure ,Crystallography, X-Ray ,Biochemistry ,Catalysis ,Crystal ,Crystallography ,Planar ,Models, Chemical ,Heterocyclic Compounds ,Molecule ,Computer Simulation ,Density functional theory ,Physical and Theoretical Chemistry ,Palladium - Abstract
1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c':5,6-c'']trithiophene (C-Me) was prepared by palladium-catalyzed methylations of the corresponding hexabromide C-Br. The twisted structure of C-Me has been confirmed by X-ray crystal analysis. The physical properties of twisted C-Me and planar benzo[1,2-c:3,4-c':5,6-c'']trithiophene (C-H) were studied and compared. Crystal structures are compared to computational structures determined using density functional theory, with both the M06-2X and B3PW91 functionals.
- Published
- 2009
11. A dominant role of stress-dependent oxide structure on diffusion flux in the strain-reaction engineering.
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Zheng, Yao-Ting, Xuan, Fu-Zhen, and Wang, Zhengdong
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CRYSTAL structure , *STRAINS & stresses (Mechanics) , *METALLIC oxides , *ACTIVATION energy , *DIFFUSION coefficients , *OXYGEN , *MOLECULAR dynamics - Abstract
Using reactive molecular dynamic simulation, the diffusion behavior of oxygen ions is studied during the oxidation of Fe (1 0 0) under applied tensile strains at room temperature. We find that the strain induced changes of the oxide structure lead to the change of the oxygen diffusion coefficient. This is supported by the comparative analysis of diffusion energy barrier in the corresponding oxide structure. Compared with the effect of the diffusant concentration (composition) and oxidation growth stresses, the evolution of oxide structure plays a dominant role on the change of diffusion coefficient in the strain-reaction engineering. [ABSTRACT FROM AUTHOR]
- Published
- 2015
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12. Synthesis, Structural, and UV Studies of Two Uracil Derivatives, Methyl 3-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2 H)-yl)propanoate and Methyl 3-(5-Chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2 H)-yl)propanoate.
- Author
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Yao, Ting, Yi, Jicheng, Zhou, Shuguang, and Xiong, Jing
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URACIL derivatives ,CRYSTAL structure research ,X-ray diffraction ,HYDROGEN bonding ,DNA - Abstract
Two uracil derivatives of methyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2 H)-yl)propanoate ( 1) and methyl 3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2 H)-yl)propanoate ( 2) were synthesized and characterized by elementary analyses, MS, IR and NMR. The crystal structures of 1 and 2 were determined by means of X-ray diffraction. Compound 1 crystallized in the monoclinic P21/ c space group with a = 7.4213(9), b = 5.8480(7), c = 23.248(3) Å, and β = 108.184(4)°. Compound 2 crystallized in the monoclinic P21/ c space group with a = 12.5754(12), b = 4.9363(5), c = 16.5352(15) Å, and β = 97.455(3)°. The thermal stabilities of 1 and 2 were studied by DSC-TGA techniques. The UV spectra indicated that the two compounds interacted with DNA by electrostatic binding. Graphical Abstract: The X-ray diffraction revealed that the N-H···O inter-molecular hydrogen bond in solid state of the two title compounds resulted in antiparallel β-sheet arrangement.[Figure not available: see fulltext.][Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]
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- 2013
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13. A Linear Piperazine-Containing Ligand and Its Hg Coordination Polymer.
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Chu, Wen-Juan, Li, Rui-Jun, Fan, Yao-Ting, and Hou, Hong-Wei
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PIPERAZINE ,LIGANDS (Chemistry) ,MERCURY ,COORDINATION polymers ,HYDRATES ,TRIAZOLES ,POLYOXYMETHYLENE ,CRYSTAL structure - Abstract
Reactions of piperazine hexahydrate with triazol and paraformaldehyde afford a new piperazine-containing ligand: (N,N′-bis(1-H-1,2,4-triazole-1-yl)piperazine) (btp). X-ray crystal diffraction reveals that btp is an overall linear structure. Its Hg2+ polymer displays a zigzag chain in which piperazine is held in the chair conformation. In addition, the spectra properties of the btp and 1 are investigated, the strong luminescence characteristics of btp and 1 are found. [ABSTRACT FROM AUTHOR]
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- 2012
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14. Syntheses, crystal structures, and fluorescence of two complexes constructed by N '-(pyridin-2-ylmethylene)-2-( 1H -1,2,4-triazol-1-yl)acetohydrazide.
- Author
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Hou, Xiao-Wei, Shi, Wei-Na, Ding, De-Gang, Fan, Yao-Ting, and Hou, Hong-Wei
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COMPLEX compounds synthesis ,TRANSITION metal ions ,CRYSTALLOGRAPHY ,FLUORESCENCE ,X-ray diffraction ,CARBENES ,MOLECULAR structure ,HYDROGEN bonding ,MOLECULES ,COPPER compounds ,SUPRAMOLECULAR chemistry - Abstract
Two new binuclear complexes, Cd2(HL)2(NO3)4 · (CH3OH)2 (1) and Cu2(L)2(ClO4)2 (2), based on N'-(pyridin-2-ylmethylene)-2-(1H-1,2,4-triazol-1-yl)acetohydrazide (HL) and Cd(II) and Cu(II) salts have been synthesized and characterized by single crystal X-ray diffraction. Hydrogen bonds and π-π interactions extend both binuclear molecules, a 3-D supramolecular framework for 1 and 1-D staggered chains for 2. Fluorescence of both complexes is discussed. [ABSTRACT FROM AUTHOR]
- Published
- 2010
- Full Text
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15. Synthesis, Molecular Structure, and Characterizations of a Novel 3D Network Cadmium Complex.
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Chu, Wen-Juan, Yong, He, Fan, Yao-Ting, and Hou, Hong-Wei
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HYDROTHERMAL alteration ,BIPYRIDINE ,ETHANES ,X-ray diffraction ,SPECTRUM analysis - Abstract
A 3D complex [Cd(L)(4,4-bipy)].2H2O (1) has been synthesized by hydrothermal reaction of Cd(NO3)2, 4,4'-bipyridine and 1,2-bis[3-(1,2,4-triazolyl)-4-amino-5-carboxylmethylthio]ethane (H2L). X-ray crystal diffraction reveals that 1 belongs to triclinic system, [image omitted] space group. The crystallographic data are: a = 10.103(2) Å, b = 11.786(2) Å, c = 12.005(2) Å, α = 93.58(3)°, β = 98.66(3)°, γ = 105.47(3)°. In 1, Cd2+ ions are seven-coordinated and carboxylate groups adopt two coordination modes (bidentate chelate, bidentate chelate bridging) to connect Cd2+ ions forming a 2D layer. The auxiliary ligand 4,4'-bipy further link these 2D layers leading to a 3D network structure. Besides, the spectrum properties of 1 are investigated. [ABSTRACT FROM AUTHOR]
- Published
- 2010
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16. Synthesis, Structure and Fluorescence Properties of a Coordination Polymer [Cu2(SCN)4(BPX)]n with 1D Ladder-Shaped Structure.
- Author
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Wang, Ling-Fang, Liu, Mei, Liu, Xiu-Cun, Niu, Yun-Yin, Hou, Hong-Wei, Fan, Yao-Ting, Zhang, Zhen-Hua, and Yue, Jun-Ming
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COORDINATION polymers ,PYRIDINIUM compounds ,INFRARED spectra ,FLUORESCENCE spectroscopy ,X-ray diffraction - Abstract
A coordination polymer, [Cu2(SCN)4(BPX)]n(BPX = 1,4-bis(pyridinium) xylol) was synthesized and characterized by IR spectrum, fluorescence spectrum and single crystal X-ray diffraction. Crystal structure revealed that the title compound crystallized in monoclinic system with space group P2(1)/c, a = 5.7540(7)Å, b = 12.7203(15) Å, c = 17.598(2) Å, β = 94.9940(10)°. Two SCN-ions served as bridging ligands to link two Cu(I) ions, giving rise to an eight-member ring. Furthermore, copper atom and sulfur atom of the eight-member ring bonded sulfur atom and copper atom of adjacent eight-member ring through the formation of Cu-S to form a small four-member ring. Thus, innumerable eight-member rings alternately linked four-member rings each other to form an infinite one-dimensional ladder-shaped structure. [ABSTRACT FROM AUTHOR]
- Published
- 2009
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17. Construction of Cerium(III) Supramolecular Compound with 1,5-Bis(pyridinium)pentane.
- Author
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Xu, Na, Lv, Yan-Yang, Wang, Ke-Dong, Sun, Dong, Niu, Yun-Yin, Jia, Han-Dong, Hou, Hong-Wei, and Fan, Yao-Ting
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PYRIDINIUM compounds ,ALKANES ,CERIUM ,NITRATES ,STRUCTURAL analysis (Engineering) ,OXYGEN ,CATIONS - Abstract
A new supramolecular complex [Ce2(bppt)3(NO3)12]·2H2O has been synthesized from 1,5-bis(pyridinium)pentane (bppt· Br2), and characterized by single-crystal X-ray diffraction and IR spectra. It consists of two [Ce(NO3)6]3- anions, three bppt2+ cations and a lattice water molecule. Both of Ce3+ are 12-coodination with oxygen atoms of nitrate, but one of them formed a distorted icosahedron. There existed weak π-π stacking interactions between the pyridine rings of organic cations. [ABSTRACT FROM AUTHOR]
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- 2009
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18. Two New Nickel(II) Complexes of (4-Amino-1,2,4-triazole-3,5-diyldithio)diacetic Acid: Syntheses, Crystal Structures and Characterizations.
- Author
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Yang, Xiu-Min, Yin, Ming-Cai, Ding, De-Gang, and Fan, Yao-Ting
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NICKEL ,X-ray diffraction ,MOLECULAR structure ,CHEMICAL structure ,LIGANDS (Chemistry) - Abstract
Two new complexes [Ni(phen)(H2O)4] · (atda)(H2O)5 (1) and [Ni2(4,4' -bipy)2(H2O)8] · (atda)2 (2) (where H2atda = (4-amino-1,2,4-triazole-3,5-diyldithio)diacetic acid, phen = 1,10-phenanthroline, 4,4' -bipy = 4,4' -bipyridine) have been synthesized and characterized by elemental analysis, IR, UV, thermogravimetric analysis and X-ray diffraction technique. X-ray structural analyses reveal that the two complexes are both three-dimensional (3D) supramolecular structures and possess similar structural characters. The Ni(II) centers are both in distorted octahedral coordination environments, six-coordinated by four water molecules and two nitrogen atoms from a 1,10-phenanthroline molecule or two 4,4' -bipyridine molecules. The atda2 - ligands do not coordinate to the Ni(II) centers, but only exist as counter anions, forming hydrogen bonds with coordinated or uncoordinated water molecules. Various hydrogen-bonding interactions play an important role in the assembly of three-dimensional supramolecular architectures. [ABSTRACT FROM AUTHOR]
- Published
- 2009
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19. Hydrothermal Synthesis, Crystal Structure and Magnetic Property of a Novel 3D Coordinated Polymer [Mn(tzda)(4,4'-bipy)(H2O)]n.
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Wang, Yu‐Ting, Wang, Yu‐Ling, Fan, Yao‐Ting, Hou, Hong‐Wei, and Zhang, Hong‐Yun
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POLYMERS ,HYDROTHERMAL alteration ,LIGANDS (Chemistry) ,COORDINATION compounds ,MAGNETIC properties ,POLYMER solutions ,MOLECULAR spectra - Abstract
A novel 3D coordination polymer [Mn(tzda)(4,4'-bipy)(H2O)]n (1) of mixed ligands, (1,3,4-thiadiazole-2,5-diyldithio)diacetic acid (H2tzda) and 4,4'-bipyridine, has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction and IR spectra. Complex 1 crystallizes in the orthorhombic space group Pbca with a=18.1657(9)Å, b=9.0882(5)Å, c=22.9333(12)Å. In the structure, each Mn(II) ion is in a distorted octahedral coordination geometry, three among four coordination sites of the equatorial plane are occupied by the carboxylate oxygen atoms and the remaining site is occupied by the water molecule while the apical positions are occupied by two nitrogen atoms from two bipy molecules. The six-coordinated Mn ions are interlinked by flexible tzda ligands to form layers, which are sustained by rigid 4,4'-bipy ligands into a 3D open framework. The magnetic property of 1 was also investigated and the magnetic susceptibility data were rationally fitted with J=-0.103 cm-1, g=2.09, zJ'=-0.02 cm-1, showing weakly antiferromagnetic interactions among Mn(II) ions in 1. [ABSTRACT FROM AUTHOR]
- Published
- 2007
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20. Syntheses, Crystal Structure and Characterizations of a New Lead (II) Coordination Compound [Pb(phen)(NO3)2(H2O)]n.
- Author
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Zhao, Jin‐An, Wang, Yu‐Ling, Wang, Yu‐Ting, Fan, Yao‐Ting, and Hou, Hong‐Wei
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LEAD ,METAL complexes ,CRYSTALS ,MOLECULES ,X-ray diffraction ,SUPRAMOLECULAR organometallic chemistry - Abstract
A new coordination compound, [Pb(phen)(NO3)3(H2O)]n(1), has been synthesized by the reaction of Pb(NO3)2 with phenanthroline (phen) in water. The complex was crystallized using the solution diffusion method and structurally characterized by X-ray single crystal diffraction. The compound 1 crystallizes in the monoclinic space group P21/c. In the structure unit of the compound 1, the central Pb(II) ion is six-coordinated with two nitrogen atoms from the phen, three oxygen atoms from three nitrate groups and one oxygen atom from a water molecule. The [Pb(phen)(NO3)2(H2O)] units are linked together by O1, N3, and O3 bridge from nitrate groups, resulting in the formation of one-dimensional chain structures. It is further connected by hydrogen bonds and π-π interactions formed a complicated supramolecular compound. In addition, the spectral properties and TG analyses for the compound 1 are also discussed The IR, UV-Vis spectra of the title compound as well as its thermodecomposition behavior were also discussed in detail in this paper. [ABSTRACT FROM AUTHOR]
- Published
- 2007
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21. Synthesis, Crystal Structure and Characterizations of a Novel 3D Coordinated Polymer [Gd2(tzda)3(H2O)5]n [H2tzda=(1,3,4-Thiadiazole-2,5-diyldithio)diacetic Acid].
- Author
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Wang, Yu‐Ting, Fan, Yao‐Ting, Wang, Yu‐Ling, Li, Yan‐Hong, Hou, Hong‐Wei, and Zhang, Hong‐Yun
- Subjects
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POLYMERS , *COORDINATION compounds , *LIGANDS (Chemistry) , *THREE-dimensional imaging , *PHOTOLUMINESCENCE - Abstract
A novel 3D coordination polymer [Gd2(tzda)3(H2O)5]n (1) has been synthesized by hydrothermal reaction of Gd(NO3)3 with a flexible building unit - (1,3,4-thiadiazole-2,5-diyldithio)diacetic acid (H2tzda). X-ray single crystal diffraction analysis reveals that 1 belongs to triclinic system, P1¯ space group. The crystallographic data are: a=9.6769(7)Å, b=13.4539(9) Å, c=14.9369 (10)Å, α=65.9050(10)°, β=82.1290(10)°, γ=80.1210(10)°. In the structure, two Gd(III) ions are both nine-coordinated and in different coordination environments while the tzda2- anions display three different coordination modes to link Gd(III) ions and then form a complicate three-dimensional network structure. [ABSTRACT FROM AUTHOR]
- Published
- 2007
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22. Synthesis and crystal structure of yttrium(III) and lanthanide(III) complexes with a new terpyridine-like ligand 2,4- bis (3,5-dimethylpyrazol-1-yl)- 6-diethylamino-1,3,5-triazine.
- Author
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Lu, Hui-Jie, Fan, Yao-Ting, Gao, Jie, and Hou, Hong-Wei
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YTTRIUM , *RARE earth metals , *LIGANDS (Chemistry) , *LUMINESCENCE , *X-rays , *CRYSTALS - Abstract
A new planar aromatic tridentate terpyridine-like ligand, 2,4- bis (3,5-dimethylpyrazol-1-yl)-6-diethylamino-1,3,5-triazine ( L ), has been synthesized and the structures of its complexes [Y L (NO 3 ) 3 ] ( 1 ) and [Ln L (NO 3 ) 3 (H 2 O)] L [Ln = La ( 2 ), Ce ( 3 ), Pr ( 4 ), Nd ( 5 ), Eu ( 6 )] have been determined by X-ray crystal structural analysis. The structures of the five lanthanoid complexes are isomorphous and isostructural but different from the crystal structure of the yttrium complex [Y L (NO 3 ) 3 ]. The latter shows a nine-coordinate metal center whereas the crystal structure of the lanthanoid complexes [Ln L (NO 3 ) 3 (H 2 O)] L show a 10-coordinate metal center. The π-π stacking and hydrogen bonding between the coordinated and uncoordinated L molecules sensitized the Ln luminescence. The thermal behavior of the ligand and its complexes is discussed. [ABSTRACT FROM AUTHOR]
- Published
- 2004
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23. Anion-dependent assemblies of two unprecedented copper(II) polymers with four-fold screw axes and trapped sodium chains
- Author
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Ding, De-Gang, Xu, Hong, Fan, Yao-Ting, and Hou, Hong-Wei
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ANIONS , *COPPER , *POLYMERS , *SODIUM - Abstract
Abstract: Three Cu(II) coordination polymers [Cu(taa)2] n (1), [Cu(taa)2 ·(H2O)4 ·Na0.5 ·(ClO4)0.5] n (2) and [Cu(taa)2 ·(H2O)4 ·Na0.5 ·(BF4)0.5] n (3) have been synthesized by the reaction of 1H-1,2,4-triazol-1-acetic acid (Htaa) with different Cu(II) salts. Polymer 1 features a 2-D grid-like network structure constructed by crossed zigzag chains. In both of polymers 2 and 3, there exist rare four-fold 1-D helical chains, which are induced by or anions. Besides, trapped sodium chains are found to be nested in the channels formed by the intertwist of the helical chains of 2 and 3. [Copyright &y& Elsevier]
- Published
- 2008
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24. Synthesis, crystal structures and characterization of three novel main group metal diphosphonate coordination polymers of Ca(II), Sr(II) and Pb(II) with 1-aminodiphosphonic acid
- Author
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Lin, Lin, Zhang, Tian-Jiao, Fan, Yao-Ting, Ding, De-Gang, and Hou, Hong-Wei
- Subjects
- *
PHOSPHONIC acids , *CALCIUM compounds , *STRONTIUM compounds , *LEAD compounds - Abstract
Abstract: Hydrothermal reactions of 1-aminoethylidenediphonic acid { CH3C(NH2)(PO3H2)2, H4aedp} with CaCl2, Sr(NO3)2 and Pb(AC)2·3H2O resulted in three new main group metal diphosphonate coordination polymers. Namely, Ca[CH3C(NH3)(PO3H)2]2[CH3C(NH3)(PO3H)(PO3H2)]2 (1), Sr[CH3C(NH2) (PO3H)2(H2O)]·H2O(2) and Pb[CH3C(NH3)(PO3H)(PO3)]·H2O(3). The calcium (II) ion in complex 1 is octahedrally coordinated by six phosphonate oxygen atoms from six diphosphonate ligands, four of them in a bidentate and two in a monodentate fashion. The neighboring calcium ions are linked by pairs of P–O–P bridges, resulting in a pseudo-one-dimensional chain along the c axis. Complex 2 is the first example of the strontium phosphonate which has not been synthesized and structurally characterized before. It features a layered structure, in which strontium(II) ions are eight coordinated by an aqua ligand and seven phosphonate oxygen atoms from four diphosphonate ligands, two SrO8 polyhedra are bridged into a demeric unit by a pair of oxygen atoms and two diphosphonate groups. And such dimers are interconnected by the P–O–P bridges and O bridges to form complicated layers parallel to the ab plane. Complex 3 also has a layered structure in which the lead (II) ions are six coordinated by six phosphonate oxygens from four equivalent diphosphonate ligands. Each pair of PbO6 octahedra forms a dimeric unit via O–O edge-sharing and such dimeric units are interconnected via O–O edge-sharing to form a one-dimensional chain along the b-axis. These 1D chains are further bridged by the phosphonate ligands to form a complicated layer parallel to the bc plane. This type of layered structure has not been reported in other lead phosphonates. [Copyright &y& Elsevier]
- Published
- 2007
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25. Rotation of Aryl Groups in 9,10-Diarylphenanthrenes: Does the Rotational Barrier Become Lower as the Backbone Becomes More Crowded?
- Author
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Jen-Yi Li, Hung-Ing Chang, Chieh-Ning Feng, and Yao-Ting Wu
- Subjects
- *
ARYL group , *PHENANTHRENE , *ROTATIONAL barriers , *CRYSTAL structure , *CHEMICAL reactions - Abstract
A series of 9,10-diarylphenanthrenes was prepared, and their structures and dynamic behaviors were both theoretically and experimentally investigated. A more twisted and crowded phenanthrene backbone was associated with a lower barrier to the rotation of an aryl group. [ABSTRACT FROM AUTHOR]
- Published
- 2016
- Full Text
- View/download PDF
26. Three Cd(II) coordination polymers based on rigid 2,6-bis(3-(pyrid-3-yl)-1,2,4-triazolyl)pyridine ligand: Syntheses, crystal structures, and photocatalytic properties.
- Author
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Zhang, Lin, Liu, Lu, Li, Ming, Huang, Chao, Xu, Hong, Hou, Hong-Wei, and Fan, Yao-Ting
- Subjects
- *
CADMIUM compounds , *COORDINATION polymers , *CRYSTAL structure , *PHOTOCATALYSTS , *PYRIDINE , *HETEROCYCLIC compounds - Abstract
Three Cd(II) coordination polymers, namely, {[Cd 2 (bptp) 2 (H 2 O) 4 ]·3H 2 O} n ( 1 ), {[Cd 2 (Hbptp)(BTC)(H 2 O)]·4H 2 O} n ( 2 ) and {[Cd 2 (H 2 bptp)(BTEC)]·H 2 O} n ( 3 ) (1,3,5-H 3 BTC = 1,3,5-benzenetricarboxylic acid and H 4 BTEC = 1,2,4,5-benzenetetracarboxylic acid), have been successfully isolated by employing the rigid N-heterocyclic ligand 2,6-bis(3-(pyrid-3-yl)-1,2,4-triazolyl)pyridine (H 2 bptp) and different aromatic polycarboxylates. Complex 1 performs a helical chain structure, which is extended into 3D supermolecular framework due to its strong hydrogen bonding interactions. 2 demonstrates a binodal 3,4-connected 2D grid with the point symbol of (4 2 ·6 2 ·8)(4 2 ·6), while complex 3 features an interesting 2D structure with its 1D double chain looking like a folded paper lantern. The optical band gaps were analyzed by diffuse-reflectance UV–Vis spectra. The photocatalytic experiments for these complexes reflect well on their activities for the decomposition of MB under the irradiation of high-pressure mercury lamp. Complexes 1 and 2 present extremely good photocatalytic properties with their photocatalytic activities increasing from 17% (without any catalyst) to 87% for 1 and 96% for 2 after 2 h of irradiation. In addition, the luminescent properties of 1 – 3 have also been investigated. [ABSTRACT FROM AUTHOR]
- Published
- 2014
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27. Four ZnII/CdII coordination polymers based on 3,3′-(pyridine-3,5-diyl) dibenzoic acid: Syntheses, crystal structures and photoluminescence property.
- Author
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Zhao, Bei, Li, Hui-Jun, Jia, Yan-Yuan, Guo, Qian-Qian, Hou, Hong-Wei, and Fan, Yao-Ting
- Subjects
- *
ZINC compounds , *BENZOIC acid , *COORDINATION polymers synthesis , *CRYSTAL structure , *PHOTOLUMINESCENCE , *HYDROGEN bonding - Abstract
Four new coordination polymers namely, [Zn(pddb)(H2O)] n (1), [Zn(pddb)] n (2), {[Cd2(pddb)2]·H2O} n (3) and [Cd(pddb)(H2O)2] n (4), have been solvothermally obtained. Among which, complexes 1 and 3 were prepared in presence of 4-nitrobenzoic acid, and complexes 2 and 4 not, respectively. Complex 1 shows a binodal 3,3-connected wavelike layer structure with the point symbol of (63)2. However, 2 performs a binodal 3,6-connected 3D coordination framework with the point symbol of (4·62)·(42·68·85). 3 exhibits a more complicated 3D periodic structure built on an infinite rod-shape secondary blocking units (SBUs), while 4 shows a double-chain structure, extended into 3D supramolecular framework through strong hydrogen bonding interactions. Furthermore, the study about photoluminescence properties of these four complexes and H2pddb ligand reveals that these diverse structures have significant influence on the photoluminescence signals. [ABSTRACT FROM AUTHOR]
- Published
- 2014
- Full Text
- View/download PDF
28. Influence of the anion on the coordination mode of an unsymmetrical N-heterocyclic ligand in Cd(II) complexes: From discrete molecule to one- and two-dimensional structures
- Author
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Meng, Xiang-Ru, Wu, Xin-Juan, Li, Da-Wei, Hou, Hong-Wei, and Fan, Yao-Ting
- Subjects
- *
METAL complexes , *ORGANOCADMIUM compounds , *HETEROCYCLIC compounds , *LIGANDS (Chemistry) , *MOLECULAR structure , *TETRAZOLES , *COMPLEX ions , *COMPLEX compounds synthesis - Abstract
Abstract: Five new 0D–2D Cd(II) complexes, [Cd2(Hbimt)2I4] (1), [Cd(bimt)(Hbimt)Br] n (2), [Cd(Hbimt)Cl2(H2O)] n (3), {[Cd(Hbimt)(SO4)(H2O)2]·1.5H2O} n (4) and [Cd(Hbimt)(SCN)2] n (5) (Hbimt=2-((benzoimidazol-yl)methyl)-1H-tetrazole) have been synthesized by the reactions of Hbimt with suitable cadmium salts. Employment of different anions can influence the coordination modes of the Hbimt ligand, and accordingly result in different structures ranging from 0D to infinite 1D and 2D networks. Complex 1 displays a dimeric structure in which two Cd(II) ions are bridged through two iodine atoms. Complex 2 was caused by deprotonation of the Hbimt ligand, resulting in a 1D helical chain. While in complexes 3 and 4, Hbimt acts as a bidentate bridging ligand which joins two Cd(II) ions, leading to 1D stair-like chains. Complex 5 exhibits a 2D network structure with infinite 1D [Cd2(SCN)2] n chains. The distinct structures of 1, 2, 3, 4 and 5 reveal that the anions and the versatile coordination modes of the ligand play an important role in the structures of the complexes. In addition, the luminescent properties of complexes 1–5 have been investigated in the solid state at room temperature. [Copyright &y& Elsevier]
- Published
- 2010
- Full Text
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29. Four novel lanthanide(III) coordination polymers with 3D network structures containing 2-fold interpenetration
- Author
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Chu, Wen-Juan, Hou, Xiao-Wei, Zhao, Qing-Huan, Fan, Yao-Ting, and Hou, Hong-Wei
- Subjects
- *
COORDINATION polymers , *ORGANORARE earth metal compounds , *MOLECULAR structure , *COMPLEX compounds synthesis , *ETHANES , *SALTS , *X-ray diffraction , *LUMINESCENCE - Abstract
Abstract: Four novel lanthanide(III) coordination polymers [Ln(L)1.5(H2O)2]·5H2O [Ln=Sm (1), Eu (2), Tb (3), Dy (4)] have been hydrothermally synthesized by the reaction of 1,2-bis[4-amino-5-carboxylmethylthio-(1,2,4-triazol-3-yl)]ethane (H2L) with lanthanide(III) salts, and structurally characterized by single crystal X-ray diffraction. Polymers 1–4 are isostructural, in which all the LnIII atoms are nine-coordinated and the carboxylate groups adopt three different coordination modes (bidentate chelate, bidentate bridging, bidentate chelate bridging) to connect LnIII atoms. These polymers exhibit 3D network structures with 2-fold interpenetration, in which intriguing 1D channels are observed. Besides, the spectra properties of the title polymers are investigated, the strong luminescence characteristics of 2–3 are found. [Copyright &y& Elsevier]
- Published
- 2010
- Full Text
- View/download PDF
30. Four novel Co(II) and Mn(II) coordination polymers with triazolyl derivate: Syntheses, crystal structures and magnetic properties
- Author
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Zhang, Lei, Ling, Yun, Hu, Ai-Xi, Yao, Ting-Ting, and Li, Jing
- Subjects
- *
COORDINATION polymers , *TRANSITION metal complexes , *COMPLEX compounds synthesis , *MOLECULAR structure , *TRIAZOLES , *CALCIUM cyanamide , *X-ray diffraction ,MAGNETIC properties of complex compounds - Abstract
Abstract: Four novel coordination polymers, one-dimensional chains [M(PTE)2(N3)2] n (M=Mn for 1 and Co for 2), and two-dimensional layers [M(PTE)2(dca)2] n (M=Mn for 3 and Co for 4) (PTE=1-(2,4-difluorophenyl-2-(1H-1,2,4-triazol-1-yl)ethanone, dca=dicyanamide anion, N(CN)2 −), have been synthesized under mild ambient conditions and structurally characterized by single crystal X-ray diffraction. In all four crystal structures, the metal atoms adopt octahedral coordination geometry with six nitrogen atoms from two monodentate PTE ligands and four azido (or dca) bridging ligands. The crystal structures of 1 and 2 are isostructural 1-D polymeric chains, alternatively linked by double end-on and double end-to-end azido bridges. However, the bent dca ligands as bidentate μ2-1,5 bridging ligands interlink the octahedral metal units to lead to 2-D (4,4) grid networks in 3 and 4. Temperature-dependent magnetic measurements in 2–300K have been performed for these four polymers, and suggest alternative ferro- and antiferromagnetic couplings for end-on and end-to-end azido bridges in 1, and the dominant ferromagnetic coupling in 2, respectively. Both polymers 3 and 4 show weak antiferromagnetic exchanges through the μ2-1,5-dca bridges. The effects of auxiliary coligands on the structure and the nature of these magnetic exchanges are discussed in the light of the crystal structures in detail. [Copyright &y& Elsevier]
- Published
- 2009
- Full Text
- View/download PDF
31. Synthesis, crystal structure and electrochemical properties of a novel tetranuclear silver(I) cluster based on 1,1′-bis[(2-hydroxybenzylidene)thiocarbonohydrazono-1-ethyl] ferrocene (FcL)
- Author
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Qiao, Chun-Jie, Ding, Degang, Li, Jie, Gu, Liqiang, Xu, Yan, and Fan, Yao-Ting
- Subjects
- *
MOLECULAR structure , *COMPLEX compounds synthesis , *ELECTROCHEMICAL analysis , *METAL clusters , *FERROCENE , *X-ray diffraction , *SILVER ions - Abstract
Abstract: A novel tetranuclear silver(I) heterocyclic cluster, which is of nano-hole structure, based on 1,1′-bis[(2-hydroxybenzylidene)thiocarbonohydrazono-1-ethyl] ferrocene (FcL) has been prepared and structurally characterized by single-crystal X-ray diffractions. In addition, its electrochemical properties are also discussed. The results confirm that the receptor FcL is responsive to Ag+. [Copyright &y& Elsevier]
- Published
- 2009
- Full Text
- View/download PDF
32. Strong optical limiting effects of two Ag(I)-bridged metal-organic polymers
- Author
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Xu, Hong, Song, Ying Lin, Meng, Xiang Ru, Hou, Hong Wei, Tang, Ming Sheng, and Fan, Yao Ting
- Subjects
- *
ORGANOMETALLIC polymers , *ORGANOSILVER compounds , *CHEMICAL structure , *NONLINEAR optics , *ABSORPTION , *CRYSTALLOGRAPHY - Abstract
Abstract: Two Ag(I)-bridged metal-organic polymers: 2D double-crossed layer polymer {[Ag(bpfp)]·NO3 ·H2O)} n (bpfp= N,N′-bis(3-pyridylformyl)-piperazine) (1) and 1D zigzag chain polymer {[Ag(btx)]·NO3} n (btx=1,4-bis(triazol-1-ylmethyl)-benzene) (2) have been prepared and structurally characterized by single crystal diffraction. Their third-order nonlinear optical (NLO) properties and optical limiting (OL) effects were determined by Z-scan technique. The results show that both polymers possess strong optical nonlinear absorption and optical nonlinear refraction, and exhibit strong OL effect to nanosecond and picosecond incident pulsed laser. By comparing the optical nonlinearities of the polymers and purely bpfp and btx ligands, we find that the incorporation of Ag ion can largely enhance the optical nonlinearities of organic molecules attached. DFT calculation further confirms the corporate contributions of Ag ions and bridge ligands to the optical nonlinearities. [Copyright &y& Elsevier]
- Published
- 2009
- Full Text
- View/download PDF
33. A novel copper diphosphonate complex Cu4(aedp)2(4,4′-bpy)(H2O)4 with three-dimensional framework structure
- Author
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Ding, De-Gang, Yin, Ming-Cai, Lu, Hui-Jie, Fan, Yao-Ting, Hou, Hong-Wei, and Wang, Yu-Ting
- Subjects
- *
COPPER , *DIPHOSPHONATES , *BIPYRIDINE , *MAGNETIC properties - Abstract
Abstract: A novel copper organodiphosphonate complex containing a second ligand 4,4′-bipyridine (4,4′-bpy) based on 1-aminoethylidenediphosphonic acid (H4aedp), Cu4(aedp)2(4,4′-bpy)(H2O)4 (1), has been synthesized under hydrothermal conditions. Complex 1 adopts a three-dimensional framework structure assembled from {Cu4(aedp)2(H2O)4} layers and 4,4′-bpy bridges. Each {Cu4(aedp)2(H2O)4} unit consists of three crystallographically distinct Cu atoms. The Cu(1) atom has a distorted square pyramidal geometry, whereas the Cu(2) and Cu(3) atoms have a distorted elongated tetragonal octahedral geometry. The magnetic studies indicate that complex 1 show typical antiferromagnetic behaviors at low temperature, which is attributed to the superexchange couplings between Cu(II) centers through –O bridge in the phosphonate layers. Crystal data for 1: triclinic, space group , , , , , , , , . [Copyright &y& Elsevier]
- Published
- 2006
- Full Text
- View/download PDF
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