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Start Over Author "Xue, Bin" Journal angewandte chemie international edition
29 results on '"Xue, Bin"'

4. Co‐Assembly Induced Solid‐State Stacking Transformation in Amino Acid‐Based Crystals with Enhanced Physical Properties

Author

Ji, Wei, primary, Yuan, Hui, additional, Xue, Bin, additional, Guerin, Sarah, additional, Li, Hui, additional, Zhang, Lei, additional, Liu, Yanqing, additional, Shimon, Linda J. W., additional, Si, Mingsu, additional, Cao, Yi, additional, Wang, Wei, additional, Thompson, Damien, additional, Cai, Kaiyong, additional, Yang, Rusen, additional, and Gazit, Ehud, additional

Published
2022
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5. Photoelectron Spectroscopy and Theoretical Studies of PCSe − , AsCS − , AsCSe − , and NCSe − : Insights into the Electronic Structures of the Whole Family of ECX − Anions (E=N, P, As; X=O, S, Se)

Author

Weston Thatcher Borden, Frank Tambornino, Jose M. Goicoechea, Qinqin Yuan, Xue-Bin Wang, Bo Chen, and Alexander Hinz

Subjects
Materials science, 010405 organic chemistry, General Chemistry, Electronic structure, 010402 general chemistry, 01 natural sciences, Catalysis, 0104 chemical sciences, Electronegativity, Crystallography, X-ray photoelectron spectroscopy, Electron affinity, Physics::Atomic and Molecular Clusters, Molecular orbital, Spectroscopy, Pnictogen, Natural bond orbital
Abstract

The newly synthesized phosphorus- and arsenic-containing analogues of the thio- and seleno-cyanate anions, PCSe- , AsCS- , and AsCSe- , as well as the known ion NCSe- were investigated in the gas phase by negative-ion photoelectron spectroscopy (NIPES), velocity-map imaging (VMI) spectroscopy, and quantum-chemical computations. The electron affinities (EA), spin-orbit (SO) splittings, and "symmetric"/"asymmetric" stretching frequencies of the neutral radicals ECX. (E=N, P, As; X=S, Se), generated by electron detachment from the corresponding anions, were obtained from the spectra. The calculated EAs, SO splittings, and vibrational frequencies are in excellent agreement with the experimental measurements. These newly obtained values, when combined with those previously determined for the lighter analogues, show interesting trends on descending the pnictogen and chalcogen series. These trends are rationalized based on electronegativity arguments, the electron distributions in the HOMOs, and NBO/NRT analyses.

Published
2019

10. Photoelectron Spectroscopy and Theoretical Studies of PCSe−, AsCS−, AsCSe−, and NCSe−: Insights into the Electronic Structures of the Whole Family of ECX− Anions (E=N, P, As; X=O, S, Se)

Author

Yuan, Qinqin, Tambornino, Frank, Hinz, Alexander, Borden, Weston Thatcher, Goicoechea, Jose M., Chen, Bo, and Wang, Xue‐Bin

Subjects
PHOTOELECTRON spectroscopy, ELECTRONIC structure, ELECTRON affinity, ANIONS, ARSENITES
Abstract

The newly synthesized phosphorus‐ and arsenic‐containing analogues of the thio‐ and seleno‐cyanate anions, PCSe−, AsCS−, and AsCSe−, as well as the known ion NCSe− were investigated in the gas phase by negative‐ion photoelectron spectroscopy (NIPES), velocity‐map imaging (VMI) spectroscopy, and quantum‐chemical computations. The electron affinities (EA), spin–orbit (SO) splittings, and "symmetric"/"asymmetric" stretching frequencies of the neutral radicals ECX. (E=N, P, As; X=S, Se), generated by electron detachment from the corresponding anions, were obtained from the spectra. The calculated EAs, SO splittings, and vibrational frequencies are in excellent agreement with the experimental measurements. These newly obtained values, when combined with those previously determined for the lighter analogues, show interesting trends on descending the pnictogen and chalcogen series. These trends are rationalized based on electronegativity arguments, the electron distributions in the HOMOs, and NBO/NRT analyses. [ABSTRACT FROM AUTHOR]

Published
2019
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11. Cover Picture: Precisely Tailoring Upconversion Dynamics via Energy Migration in Core-Shell Nanostructures (Angew. Chem. Int. Ed. 12/2018)

Author

Zuo, Jing, primary, Sun, Dapeng, additional, Tu, Langping, additional, Wu, Yanni, additional, Cao, Yinghui, additional, Xue, Bin, additional, Zhang, Youlin, additional, Chang, Yulei, additional, Liu, Xiaomin, additional, Kong, Xianggui, additional, Buma, Wybren Jan, additional, Meijer, Evert Jan, additional, and Zhang, Hong, additional

Published
2018
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13. Taming Hot CF3Radicals: Incrementally Tuned Families of Polyarene Electron Acceptors for Air-Stable Molecular Optoelectronics

Author

Shihu H. M. Deng, Olga V. Boltalina, Xue-Bin Wang, Igor V. Kuvychko, Steven H. Strauss, and Karlee P. Castro

Subjects
chemistry.chemical_classification, Trifluoromethylation, Chemistry, business.industry, Radical, General Medicine, General Chemistry, Electron acceptor, Electrochemistry, Catalysis, Electron affinity, Yield (chemistry), Polar effect, Optoelectronics, Hybrid material, business
Abstract

Breakthroughs in molecular optoelectronics await the availability of new families of air-stable polyaromatic hydrocarbon (PAH) acceptors with incrementally- and predictably-tunable electron affinities and structures capable of inducing desirable solid-state morphologies in hybrid materials. Although the addition of electron withdrawing groups to PAHs has been studied for decades, producing new compounds from time to time, a generic one-step synthetic methodology applicable to potentially all PAH substrates has been, until now, an impossible dream. We herein report that at least seventeen common PAHs and polyheterocyclics can be trifluoromethylated by a new procedure to yield families of PAH(CF3)n acceptors with (i) n = 4-8, (ii) multiple isomers for particular n values, (iii) gas-phase experimental electron affinities as high as 3.32 eV and shifted from the respective PAH precursor as a linear function of n, and (iv) various solid-state morphologies, including the ability to form alternating π stacked hybrid crystals with aromatic donors.

Published
2013

18. Cover Picture: A Combined Gas-Phase Photoelectron Spectroscopic and Theoretical Study of Zeise’s Anion and Its Bromine and Iodine Analogues (Angew. Chem. Int. Ed. 26/2012)

Author

Wei-Jun Zheng, Kenneth Lopata, Gao-Lei Hou, Hui Wen, Karol Kowalski, Xue-Bin Wang, Sotiris S. Xantheas, and Niranjan Govind

Subjects
Bromine, chemistry.chemical_element, General Chemistry, Zinc, Copper, Redox, Catalysis, chemistry, X-ray photoelectron spectroscopy, Computational chemistry, Ab initio quantum chemistry methods, Excited state, Physical chemistry, Group 2 organometallic chemistry
Abstract

Zeises anion is the quintessential organometallic compound first synthesized byWilliam Zeise in the 1820s. In their Communication on page 6356 ff., S. S. Xantheaset al. present a combined gas-phase photoelectron spectroscopic and computationalstudy of Zeises anion, which provides rich and detailed chemical-bonding andinteraction information on the anion and its bromine and iodine analogues (Zeisesportrait taken from the Wikipedia entry on William C. Zeise).Gas-Phase ElectrochemistryIn their Communication on page 6350 ff., D. J. Caruna et al. show that it is possibleto control redox reactions at the solid/gas interface by using voltammetrictechniques. A flame plasma is used as the electrolyte.HeteronanostructuresS.-H. Yu et al. report in their Communication on page 6365 ff. how the form of screw-, dumbbell-, and sandwich-like hexagonal-prismatic Cu–S–Zn nanostructures can becontrolled by the molar ratio of the copper and zinc precursors.Single-Molecule MagnetsIn their Communication on page 6361 ff., H. Oshio and co-workers describe acyanide-bridged [Fe

Published
2012

23. C20H4(C4F8)3: A Fluorine-Containing Annulated Corannulene that Is a Better Electron Acceptor Than C60.

Author

Kuvychko, Igor V., Dubceac, Cristina, Deng, Shihu H. M., Wang, Xue‐Bin, Granovsky, Alexander A., Popov, Alexey A., Petrukhina, Marina A., Strauss, Steven H., and Boltalina, Olga V.

Subjects
ANNULATION, CORANNULENE, ELECTROPHILES, ELECTRONS, HALOGENS
Abstract

At sixes and sevens: The reaction of corannulene with 35 equivalents of 1,4‐C4F8I2 is an efficient and a relatively selective process that yields two main products in which six H atoms are substituted with three C4F8 moieties that form six‐ and seven‐membered rings. Low‐temperature photoelectron spectroscopy showed the electron affinity of the major isomer (shown) exceeds that of C60 (2.74±0.02 and 2.689±0.008 eV, respectively). [ABSTRACT FROM AUTHOR]

Published
2013
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25. Helicity Induction in Hydrogen-Bonding-Driven Zinc Porphyrin Foldamers by Chiral C60-Incorporating HistidinesWe thank the Ministry of Science and Technology (G2000078101), the National Natural Science Foundation (20321202, 90206005, 20372080, 20332040, 20425208) of China, and the Chinese Academy of Sciences for financial support.

Author

Jun-Li Hou, Hui-Ping Yi, Xue-Bin Shao, Chuang Li, Zong-Quan Wu, Xi-Kui Jiang, Li-Zhu Wu, Chen-Ho Tung, and Zhan-Ting Li

Published
2006
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26. Observation of Weak C—H⋅⋅⋅O Hydrogen Bonding to Unactivated AlkanesWe thank Dr. S. E. Barlow for valuable discussions. This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Chemical Science Division. The experiment and calculations were performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the DOE Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated for the DOE by Battelle.

Author

Xue-Bin Wang, Hin-Koon Woo, Boggavarapu Kiran, and Lai-Sheng Wang

Published
2005
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27. Intramolecular Rotation through Proton Transfer: [Fe(η5-C5H4CO2−)2] versus [(η5-C5H4CO2−)Fe(η5-C5H4CO2H)]We thank Dr. Jun Li for valuable discussions and help with the theoretical calculations. This work was supported by the U.S. National Science Foundation (CHE-0349426) and performed at the W R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated for DOE by Battelle. All the calculations were performed using supercomputers at the Molecular Sciences Computing Facility of EMSL.

Author

Xue-Bin Wang, Bing Dai, Hin-Koon Woo, and Lai-Sheng Wang

Published
2005
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28. Remarkable Second Harmonic Generation Response in (C5H6NO)+(CH3SO3)−: Unraveling the Role of Hydrogen Bond in Thermal Driven Nonlinear Optical Switch.

Author

Zhang, Zi‐Peng, Liu, Xin, Wang, Rui‐Xi, Zhao, Shuang, He, Wen‐Jie, Chen, Hong‐Yu, Deng, Xue‐Bin, Wu, Li‐Ming, Zhou, Zhengyang, and Chen, Ling

Abstract

Heat‐activated second harmonic generation (SHG) switching materials are gaining interest for their ability to switch between SHG on and off states, offering potential in optoelectronic applications. The novel nonlinear optical (NLO) switch, (C5H6NO)+(CH3SO3)− (4‐hydroxypyridinium methylsulfonate, 4HPMS), is a near‐room‐temperature thermal driven material with a strong SHG response (3.3 × KDP), making it one of the most potent heat‐stimulated NLO switches. It offers excellent contrast of 13 and a high laser‐induced damage threshold (2.5 × KDP), with reversibility > 5 cycles. At 73 °C, 4HPMS transitions from the noncentrosymmetric Pna21 room temperature phase (RTP) to the centrosymmetric P21/c phase, caused by the rotation of the (C5H6NO)+ and (CH3SO3)− due to partially thermal breaking of intermolecular hydrogen bonds. The reverse phase change exhibits a large 50 °C thermal hysteresis. Density functional theory (DFT) calculations show that (C5H6NO)+ primarily dictates both the SHG coefficient (dij) and birefringence (▵n(Zeiss) = 0.216 vs ▵n(cal.) = 0.202 at 546 nm; Δn(Immersion) = 0.210 vs ▵n(cal.) = 0.198 at 589.3 nm), while the band gap (Eg) is influenced synergistically by (C5H6NO)+ and (CH3SO3)−. Additionally, 4HPMS‐RTP also exhibits mechanochromism upon grinding as well as an aggregation‐enhanced emission in a mixture of acetone and water. [ABSTRACT FROM AUTHOR]

Published
2024
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29. C20H4(C4F8)3: A Fluorine-Containing Annulated Corannulene that Is a Better Electron Acceptor Than C60.

Author

Kuvychko, Igor V., Dubceac, Cristina, Deng, Shihu H. M., Wang, Xue‐Bin, Granovsky, Alexander A., Popov, Alexey A., Petrukhina, Marina A., Strauss, Steven H., and Boltalina, Olga V.

Subjects
*ANNULATION, *CORANNULENE, *ELECTROPHILES, *ELECTRONS, *HALOGENS
Abstract

At sixes and sevens: The reaction of corannulene with 35 equivalents of 1,4‐C4F8I2 is an efficient and a relatively selective process that yields two main products in which six H atoms are substituted with three C4F8 moieties that form six‐ and seven‐membered rings. Low‐temperature photoelectron spectroscopy showed the electron affinity of the major isomer (shown) exceeds that of C60 (2.74±0.02 and 2.689±0.008 eV, respectively). [ABSTRACT FROM AUTHOR]

Published
2013
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