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An energetic coordination polymer ([Cd(BTA)(H2O)]n1 (H2BTA = N,N-bis(1(2)H-tetrazol-5-yl)-amine)) was solvothermally synthesized and structurally characterized. The structural analyses illustrate that compound 1 exhibits a nonporous, tightly packed 3D PtS framework. Compared with the porous 3D metal–organic framework CoBTA (CoBTA = [Co9(bta)10(Hbta)2(H2O)10]n), 1 displays higher density, better water resistance and thermal stability, and lower sensitivities. The enthalpy of formation of 1 is 0.7519 kJ g−1, which is higher than that of the traditional explosive 2,4,6-trinitrotoluene (TNT, −0.2952 kJ g−1). The detonation velocity (D) and detonation pressure (P) of 1 were calculated to be 6.283 km s−1 and 21.64 GPa, respectively. Sensitivity tests reveal that 1 is insensitive to external stimuli. Based on the evaluation of energetic performance, 1 can act as an energetic candidate material with an approved level of safety. [ABSTRACT FROM AUTHOR]

In this work, we report a new mechanoresponsive luminescent Cd(ii) coordination polymer that exhibits a sensitivity to mechanical stimulation. The luminescence colour changed gradually from weak yellowish-green to bright cyan in response to different grinding sizes, thereby showing interesting mechanochromic properties, namely a grinding-enhanced luminescence and good crystalline maintenance ability. [ABSTRACT FROM AUTHOR]

An alternative approach to fabricate color-tunable and white-light-emitting lanthanide(iii) coordination polymers (LnCPs) is demonstrated by employing a selective light-emitting tetrazolate–dicarboxylate ligand, which displays different color emissions when coordinated to different lanthanide(iii) ions. The emission colour of the obtained LnCPs can be modulated from orange to white by simply adjusting the excitation wavelengths. White-light emissions, with high color rendering index and favorable correlated color temperature, have been successfully realized in new 2D single-component Sm(iii) and two-component Eu(iii)-doped Gd(iii) coordination polymers excited at specific excitation wavelengths. [ABSTRACT FROM AUTHOR]

A series of one-dimensional (1-D) N-succinopyridine-based complexes: [Cu(L−)(H2O)2]Cl·2H2O (1), [Pr(L−)(H2O)4]Cl2 (2), [Ln(L−)(H2O)5]Cl2·3H2O (Ln = Eu (3), Gd (4)), and [Er(L−)(H2O)4]Cl2·H2O (5) (HL = N-succinopyridine (−OOC–CH(N+C5H5)–CH2–COOH)) have been prepared and characterized by single-crystal X-ray diffraction. The frameworks of complexes 1, 2 and 5 constructed from dinuclear metal building blocks exhibit 1-D double-strand loop-like chains; these chains are further connected to each other by hydrogen bonds forming a 3-D supramolecular architecture. Whereas complexes 3 and 4 feature hydrogen bonding 2-D supramolecular networks assembled from 1-D chains that are constructed from mononuclear metal building blocks. The effects of different metal ions, steric hindrance and coordination diversities of HL on the polymeric architectures have been discussed. In addition, thermogravimetric and magnetic properties of these complexes were also investigated in this paper. [ABSTRACT FROM AUTHOR]

A new carboxylate-introduced 1,2,3-triazole, 1-(3,5-dicarboxyphenyl)-4-carboxy-1H-1,2,3-triazole (H3dcpct), was synthesized by 1,3-dipolar cycloaddition of a terminal alkyne to azide in the presence of a Cu(ii) salt. Hydrothermal reaction of H3dcpct and Mn(NO3)2·6H2O or Co(NO3)2·6H2O in different NaOH/H3dcpct molar ratios afforded four new coordination polymers [Mn(dcpt)(H2O)2]·0.25H2O 1, [Mn(dcpt)(H2O)] 2, [Co(dcpt)(H2O)2]·H2O 3and [Co(H2O)6][Co2(dcpct)2(H2O)6]·2H2O 4(H2dcpt = 1-(3,5-dicarboxyphenyl)-1H-1,2,3-triazole). The in situhydrothermal decarboxylation of H3dcpct into H2dcpt in 1–3was found and its possible mechanism is proposed. In 1and 3, dcpt2−ligands bridge Mn(ii) and Co(ii) ions, respectively, to give two similar 2D layered structures with a (6,3)-connected network topology. Polymer 2displays a whole achiral 3D open framework with both chiral and achiral channels in the same direction and possesses an unprecedented (3,6)-connected (4·82)(42·812·10) network topology. The structure of 4features a 1D chained net, in which no decarboxylation occurred. Variable-temperature magnetic susceptibility data show that 1exhibits a weak ferromagnetic interaction and 2manifests an overall antiferromagnetic interaction between their respective Mn(ii) ions, while 3and 4display an antiferromagnetic interaction between Co(ii) ions and/or spin-orbital coupling. The thermal stabilities of all obtained polymers have also been examined. [ABSTRACT FROM AUTHOR]

Abstract: Four triazole-bridging coordination complexes, [Zn4(ptr)2(SO4)3(μ 3-OH)2(H2O)4] n (1), [Hg(CN)2(ptr)] n (2), [Hg(Cl)2(ptr)] n (3), and [Cu2(μ 2-ptr)2(μ 2-F)2] n (SiF6) n ·2nH2O (4), were synthesized with (m-phenol)-1,2,4-triazole (ptr). Compounds 1–4 with extended structures of 4-substituted 1,2,4-triazole are rarely reported. The layered structure of 1 can be regarded as constructed from the 2-D inorganic backbone of SO4 2−(2) anions bridging [Zn4(μ 3-OH)2(H2O)2]6− subunits with the ptr ligands anchoring to both sides of backbone. Compounds 2 and 3 are the first mercury(II) complexes with 4-substituted 1,2,4-triazole, which feature the ptr ligand acting as a bidentate ligand bridging the Hg(II) atoms to form arciform –Hg–ptr–Hg–ptr chains. The structure of 4 is constructed from the F atoms bridging Cu atoms in symmetrical μ 2-coordination mode to form a zigzag cationic chain with each ptr ligand bridging a pair of Cu atom on the both sides, resulting in a nonplanar 5-membered [Cu2N2F] ring. Fluorescent properties of 1–4 were characterized and the magnetic property of 4 shows antiferromagnetic interaction between the copper(II) ions. [Copyright &y& Elsevier]

A novel 2-D heterometal-organic coordination polymer [AgCu2(C7H2NO5)(C7H3NO5)]n·2nH2O, obtained by a hydrothermal reaction, exhibits a (44) topology and good third-order nonlinear optical and magnetic properties, which may be a good candidate for NLO and magnetic multifunctional materials. [ABSTRACT FROM AUTHOR]

[Display omitted] • Two semiconductive Ba(II)-based CPs 1 and 2 with small exciton binding energy (E b) values were successfully prepared. • The 2 -based film detector achieves superior direct X-ray detection performance among CP-based detectors. • The enhanced π-π interactions are beneficial to exciton separation and charge carrier transport irradiated by X-ray. High-performance and low-cost X-ray detector is crucial for medical imaging, nondestructive industrial detection and security checks. Semiconductive coordination polymers (CPs) with designable structures, tunable property and high cost-effectiveness have recently emerged as promising materials in direct X-ray detection. However, due to the strong Coulomb interactions between photogenerated electrons and holes, most of CPs often exhibit high exciton binding energies, resulting in relatively insufficient exciton dissociation as well as low photocurrent output and detection sensitivity in turn. Here, we employed the anthracene-based ligand to obtain two semiconductive CPs, {[Ba 2 (Hadba) 4 (DMF) 8 ]·DMF} n 1 (H 2 adba = 4,4′-(9,10-anthracenediyl)dibenzoic acid, DMF = N , N -dimethylformamide) and [Ba(Hadba) 2 (DMA) 4 ] n 2 (DMA = N , N -dimethylacetamide). Both of them can effectively convert X-ray into electrical signals. Compared with compound 1 , compound 2 has a reduced E b (44.9 meV) caused by the reinforced π-π interactions, contributing to the facilitated carrier transport, a significant enhance in mobility-lifetime product (μτ) and detection sensitivity irradiated by X-ray. Based on the optimized detection performance, we prepared a flexible 2 -based composite film detector with a low detection of 1.02 μGy/s that meets the standard for medical imaging. In particular, this film-based detector achieves a high sensitivity of 137.31 μCGy−1 cm−2 and μτ product of 3.03 × 10−3 cm2 V−1, which are superior to all previously reported CP-based detectors and much higher than commercial α -Se. Simultaneously, a 5 × 5 pixelated X-ray imaging device was further constructed to show its potential application in direct X-ray detection and imaging. [ABSTRACT FROM AUTHOR]

A new 1D coordination polymer [Pb(adba)(DMF)] n exhibits the competitive sensitivity, detection limit and radiation stability responsive to X-ray and could serve as a promising scintillating material candidate for X-ray detection in highly irradiating conditions. [Display omitted] • A new X-ray responsive 1D coordination polymer [Pb(adba)(DMF)] n (named as Pb-adba , H 2 adba = 4,4′-(9,10-anthracenediyl)dibenzoic acid, DMF = N , N -dimethylformamide) was constructed with Pb(II) salt and H 2 adba by a mild solvothermal process. • Pb-adba exhibits the competitive sensitivity and detection limit toward X-ray than classical scintillators PbWO 4 (PWO), anthracene and some reported SMOFs. • Pb-adba possess favorable radiation stability at the dose rate of 42.29 mGy/s for 3 h (equivalent to the cumulative dose of 456 Gy). The strong X-ray attenuation and beneficial optoelectronic properties of lead(II)-based coordination polymers (CPs) materials have aroused great interest in the field of radiation detection. In this work, a X-ray responsive scintillating 1D Pb(II)-CP [Pb(adba)(DMF)] n (named as Pb-adba , H 2 adba = 4,4′-(9,10-anthracenediyl)dibenzoic acid, DMF = N , N -dimethylformamide) with favourable irradiation stability was synthesized by the self-assembly approach, which exhibits competitive sensitivity and detection limit toward X-ray than classical scintillators PbWO 4 (PWO), anthracene and some reported SMOFs. [ABSTRACT FROM AUTHOR]

A new 2D coordination polymer [Ba(Nyaia)(H 2 O)] n 1 (H 2 Nyaia = 5[(naphthalene1-methylene)amino]-isophthalic acid) was obtained and structurally characterized. Compound 1 shows good fluorescence sensing performance in detecting Fe3+ and nitroaromatic compounds. This result indicates that compound 1 has potential application value in bi-function fluorescent sensing materials. [Display omitted] • A new 2D coordination polymer [Ba(Nyaia)(H 2 O)] n 1 (H 2 Nyaia = 5[(naphthalene1-methylene)amino]-isophthalic acid) was prepared. • This work provides a strategy for the design and synthesis of a bi-function fluorescent sensor. • Compound 1 has highly sensitive for the detection of Fe3+ and nitroaromatic compounds with the K sv in 105 M−1 value. It is important to develop a simple and multi-response fluorescence sensor for practical applications. Coordination polymer materials are widely used in fluorescence sensor design due to their excellent photoluminescence properties. Herein, a new 2D coordination polymer [Ba(Nyaia)(H 2 O)] n 1 (H 2 Nyaia = 5-[(naphthalene-1-methylene)amino]-isophthalic acid) with good thermal stability was prepared through H 2 Nyaia and barium(II) nitrate under the solvothermal method. Compound 1 as a bi-functional fluorescent sensor has highly sensitive fluorescence quenching for detecting Fe3+ with the quenching constant (K sv) value of 6.57 × 105 M−1 and 4-nitrophenol (4-NP) with the K sv value of 4.44 × 105 M−1. [ABSTRACT FROM AUTHOR]

Abstract: We report a new non-interpenetrated 2D zinc coordination polymer, [Zn(AA)(BPHY)] n (1) (H2AA=adipic acid, BPHY=1,2-bis(4-pyridyl)hydrazine), which is a mixed ligand complex. The solid-state sample of 1 exhibits tunable blue emission excited by UV light with the wavelengths from 320nm to 380nm. The luminescent mechanism of 1 has been studied by theoretical calculation. [Copyright &y& Elsevier]

Abstract: Two polycatenated coordination polymers, {[Zn3(adc)3(bpp)4]2 ·3H2O} n (1) and [Zn(adc)(bphy)] n (2) (adc=azobenzene-4,4′- dicarboxylate, bpp=1,3-bis(4-pyridyl)propane, bphy=1,2-bis(4-pyridyl)hydrazine), have been obtained from Zn(NO3)2∙6H2O, linear H2adc ligand and arched bpp/azpy (azpy=4,4′-azobispyridine) ligands by hydro(solvo)thermal reactions. Compound 1 presents a 2-D structure catenated from 1-D double ladders (1-D→2-D polycatenation), while compound 2 displays a 3-D structure catenated from 2-D (4,4) stair-stepping layers (2-D→3-D polycatenation). Luminescence properties of 1 and 2 have been explored, together with study of photoluminescent mechanism by density of states (DOS) calculation. [Copyright &y& Elsevier]

A 1D solvent-free energetic coordination polymer [Zn 3 (μ 3 -OH) 2 (att) 4 ] n 1 (Hatt = 4-amino-1,2,4-triazole-5-thiol) was obtained and structurally characterized. Compound 1 displays competitive energetic performance and low mechanical sensitivity, which demonstrates 1 has the potential application in insensitive energetic material. [Display omitted] • A new 1D solvent-free energetic coordination polymer [Zn 3 (μ 3 -OH) 2 (att) 4 ] n 1 (Hatt = 4-amino-1,2,4-triazole-5-thiol) was obtained. • The energetic polymer 1 possesses high enthalpy of formation, low mechanical sensitivity and relatively high decomposition temperature. • This work provides an effective method for increasing the oxygen content of energetic compounds. It is a challenge to increase the oxygen content with maintaining the mechanical sensitivity of the energetic materials. In this work, the 1D solvent-free energetic coordination polymer [Zn 3 (μ 3 -OH) 2 (att) 4 ] n 1 (Hatt = 4-amino-1,2,4-triazole-5-thiol) was obtained in alkaline solution through a simple hydrothermal reaction. The X -ray crystallographic analysis indicates that there are two hydroxyl ions embedded in the three Zn(II) atoms through strong coordination bonds, which can provide a strategy for improving the oxygen content of energetic compounds. In addition, the energetic polymer 1 possesses high enthalpy of formation (2012.700 kJ·mol−1), low mechanical sensitivity (IS > 40 J, FS > 360 N) and relatively high decomposition temperature (235 °C). These results demonstrate that compound 1 has the potential application in insensitive energetic material. [ABSTRACT FROM AUTHOR]

Abstract: Hydrothermal reaction of methyl 4-(cyanomethoxy)benzoate, Cd(NO3)2·4H2O and NaN3 yielded a new 2D Cd(II) coordination polymer, {[Cd3(N3)2(mtzb)4(H2O)2]·(H2O)2.5}n 1 (Hmtzb=methyl 4-(1H-tetrazol-5-ylmethoxy)benzoate), which was characterized by single-crystal X-ray diffraction. The in situ [2+3] cycloaddition reaction of nitrile and azide in presence of Cd(II) salt afforded a new tetrazolate-based mtzbˉ ligand. In polymer 1, The cross-linkage of the mtzbˉ ligands and Cd(II) atoms forms a 2D layer network, and the mtzbˉ ligand displays two distinct μ3-bridging coordination modes, μ 3-κN1:κN2:κN3 and μ 3-κN1:κN2:κN4. Photoluminescent analyses revealed that 1 exhibits a strong blue emission with a fluorescent lifetime of 3.22ns. The relevant density of states (DOS) calculation results showed that the photoluminescence mainly originates from ligand-centered charge transition. [Copyright &y& Elsevier]

Abstract: Hydrothermal reaction of NaN3, Na(4-cba) (4-Hcba = 4-cyanobenzoic acid) and ZnBr2 afforded a novel 3D Zn(II) coordination polymer [Zn2(4-tzba)2(H2O)]n 1 (4-H2tzba = 4-(5H-tetrazol)benzoic acid). In situ [2+3] cycloaddition reaction of nitrile and azide in the presence of ZnBr2 yielded tetrazolate-5-carboxylate 4-tzba2− ligand. Compound 1 displays an unprecedented four-connected topological network with 1D hexagonal channels constructed from trigonal rings [Zn3(4-tzba)6]. The solid-state photoluminescent studies revealed that 1 exhibits a strong blue emission mainly originating from 4-tzba2− ligand-centered charge transition. [Copyright &y& Elsevier]

Abstract: A series of lanthanide(III) complexes with chelidamic acid ligand, [Ln(C7H2NO5)·3H2O] n ·nH2O (Ln=La (1), Y (2), Sm (3), and Nd (4)), [Gd2(C7H2NO5)3·4H2O] n ·2nH2O (5) and [Ce(C7H2NO5)·1.5H2O] n (6), have been synthesized by hydrothermal method and structurally characterized by single-crystal X-ray diffraction. Complexes 1–4 are isostructural and possess 2D framework. Complex 5 contains two different Gd(III) ions linked through carboxylate group to form a 2D framework. Complex 6 exhibits a (44) topology 2D network. The variable-temperature magnetic properties of 3 and 5 have been investigated. Furthermore, the photoluminescent properties of 1, 2, 3, and 5 at room temperature were also studied. [Copyright &y& Elsevier]

Abstract: Hydrothermal reaction of Cd(NO3)2, Co(NO3)2, Na(3-cba) and NaN3 yielded a 3D heterometallic coordination polymer, [Cd(μ5-3-tzba)(μ2-3-cba)(μ3-OH)Co(H2O)] n ·2nH2O 1 (3-H2tzba=3-(5H-tetrazol)benzoic acid and 3-Hcba=3-cyanobenzoic acid), which was characterized by single-crystal X-ray diffraction. The in situ [2+3] cycloaddition reaction of nitrile and azide in presence of Cd(II) salt afforded tetrazolate-based 3-tzba2− ligand. In 1, metal-oxo chains [Cd(μ3-OH)Co] n are linked by 3-tzba2− in an unprecedented μ5-κN1:κN2:κN3:κN4:κO1,O2 coordination mode to form 2D layers, which are further pillared by 3-cba− to generate a 3D open framework encapsulating 1D chiral channels. Variable-temperature magnetic studies show that 1 exhibits antiferromagnetic interactions between Co(II) ions bridged by μ3-OH group. [Copyright &y& Elsevier]

Abstract: Hydrothermal reaction of 1H-tetrazolate-5-ethyl acetate (Htzea), MCl2 (M=Zn, Cd) and NaOH at different reaction temperatures produced three new coordination polymers: 2-D layered polymer [Zn(tza)(H2O)2] n 1, and 1-D chained supramolecular isomers 2 and 3 formulated as [Cd(tza)(H2O)2] n (H2tza=1H-tetrazolate-5-acetic acid), respectively. In these obtained polymers, tza2− ligand adopts variable coordination modes: μ 3-κN3:κO1:κO2,N1 and μ 3-κN1:κN3:κO2 for 1, and μ 3-κN2:κN1,O2:κO1,O2 for 2 and 3. The effects of reaction temperature and metal centers on the final polymeric frameworks have been discussed. Polymers 1–3 exhibit blue photoluminescence mainly arising from intraligand transitions of tetrazolate rings in tza2− ligand. [Copyright &y& Elsevier]

Abstract: A 1D coordination polymer, {[Cu3(C7H2NO5)2(H2O)7]·2(H2O)} n (1), has been synthesized and characterized by X-ray single-crystal diffraction. The crystal structure of 1 features that distorted square–pyramidal coordination polyhedra composed of Cu atoms and chelidamic acid ligands are interlinked into a 1D polymer, further linked by hydrogen bonds into a 3D network. The optical properties were investigated in terms of diffuse reflectance and fluorescent spectra, which exhibit strong luminescence. The electronic band structure along with the density of states (DOSs) calculated by the DFT method indicate that compound 1 pose an energy band gap of 1.89eV and that the origin of the emission band may be mainly ascribed to metal-to-ligand charge transfer (MLCT) where the electrons are transferred from the Cu-3d to O-2p and C-2p states. [Copyright &y& Elsevier]

Abstract: The reaction of Zn(II) ions and chelidamic acid (2,6-dicarboxy-4-hydroxypyridine) gave a novel 1D coordination polymer, [Zn3(C7H2NO5)2·8(H2O)] n (1), which are characterized by X-ray single crystal diffraction. The crystal structure of 1 reveals that Zn(II) centers are linked via chelidamic acid to form one-dimensional chains, further linked by hydrogen bonds to form a 3-D network. The optical properties were investigated in terms of diffuse reflectance and fluorescent spectra, which exhibit strong green luminescence. The electronic band structure along with the density of states (DOS) calculated by the DFT method indicate that compound 1 is a semiconductor and that the origin of the emission band may be mainly ascribed to ligand-to-ligand charge transfer (LLCT) where the electrons are transferred from the O-2p to C-2p states. [Copyright &y& Elsevier]

Abstract: The reaction of double betaine ligand L1 (L1 =1,3-bis(pyridinio-4-carboxylato)-propane) with Cu(ClO4)2 and Cu(NO3)2, respectively, afforded two novel anion-directed coordination polymers with different open frameworks. The structure of [Cu3(L1)2(OH)2(H2O)2](ClO4)4·2H2O 1 is a unique 3-D open-framework with large S-shape channels, while [Cu3(L1)2(OH)2(H2O)2](NO3)4·2H2O 2 has a 2-D tubular structure. There exist inorganic copper-oxo chains [Cu3(μ3–OH)2(μ2–H2O)2] n in both 1 and 2 as secondary building units, in which the [Cu3O4] cores exhibit a rarely observed chair-like configuration. The anion template of and , and labile coordination orientation of L1 ligand prompt the formation of different polymeric networks in 1 and 2. [Copyright &y& Elsevier]

Two new crystalline inorganic-organic hybrid compounds, namely, {[Zn(PCV) 0.5 (BDC) 0.5 ]·3H 2 O} n (1) and {[Cd(PCV) 0.5 (BDC) 0.5 (H 2 O)]·3H 2 O} n (2) have been solvothermally synthesized from the 1,4-benzenedicarboxylate (BDC2−) ligand and the viologen analog 1-(4-carboxyphenyl)-4,4′-bipyridinium (PCV). In these two compounds, PCV ligands coordinate with metal atoms to form 1D zigzag chains, and the chains are further bridged by the BDC2− ligands to yield a wave-like layer with a (4, 4) net topology. For 1 , three layers interpenetrate with each other to construct a triple-layer structure, which are stacked along the b direction through van der Waals's force to yield the final 3D structure where the channels along the a direction host the lattice water molecules. In comparison, two layers interpenetrate with each other to construct a double-layer structure, which further interpenetrate to form the final 3D structures where the lattice water molecules locate in channels along a direction. Both compounds showed photochromism accompanied with dramatic decrease of photoluminescence upon irradiation. The powdered sample of 1 can deposit easily on paper by diffusing into ethanol solution, which displays the potential application as an inkless and erasable print medium. We synthesized two new photochromic inorganic-organic hybrid materials which showed the same wave-like layer with a (4, 4) topology. Both compounds showed photochromic phenomenon. However, owing to the different π ... π interactions and densely packing, two compounds exhibit different photochromic properties. Importantly, compound 1 can be used as inkless and erasable printing media. Image 1 • Two novel viologen-based CPs are prepared via the efficient method. • Both compounds showed photochromic phenomena. • Compound 1 can be used as an inkless and erasable print medium. [ABSTRACT FROM AUTHOR]

A scarce insensitive azide-based energetic compound was obtained. Two structural models were first proposed for elucidation of the distinct sensitivities. • Four novel azide-based ECPs are prepared via the efficient method. • Compound 1 features scarce insensitivity among azide-based ECPs. • Two new structural models have been first proposed for elucidating different sensitivities. Energetic coordination polymers (ECPs), as a new class of energetic materials (EMs), have attracted extensive attention in recent years. However, controllable modulation of mechanical sensitivities and the establishment of structure-function theoretical models of ECPs to meet different applications remain great challenges. Herein, we designed and synthesized four azide-based ECPs, [Cd 2 (N 3) 2 (datz) 2 ] n 1 (Hdatz = 3,5-diamino-1,2,4-triazole), [Cd(N 3) 2 (brt) 2 ] n 2 (brt = 4,4′-bi-1,2,4-triazole), [Cd(N 3) 2 (btzp)] n 3 (btzp = 1,3-di(tetrazol-1-yl)propane), and [Cd 2 (N 3) 4 (btzb)] n 4 (btzb = 1,4-bis(tetrazol-1-yl)butane). Because of the existence of consolidated network structures, high-energy linkers, and diverse structural motifs, compounds 1 – 4 exhibit reliable thermal stabilities, tunable mechanical sensitivities, and considerable heats of detonation (Δ H det) with the Δ H det values of 3.390, 3.412, 3.947 and 4.504 kJ·g−1, respectively, which are two times higher than those of commercial LA (lead azide) and the reported AgMtta (AgMtta = [Ag(Mtta)] n , HMtta = 5-methyl-1 H -tetrazole). The sensitivity measurements demonstrate that the sensitivity toward impact of 1 – 4 displays in the following order: 1 (>40 J) ≪ 2 (8 J) < 3 (2.5 J) < 4 (2 J). In particular, compound 1 features scarce insensitivity compared with sensitive 2 , 3 , 4 and most of known azide-based EMs. Furthermore, theoretical calculations, structural analyses, and experimental results revealed that the different sensitivities of the four ECPs are mainly dependent on two different structure models for the first time. The insensitive 1 is "body frame structure" model, while the sensitive 2 – 4 belong to "non-body frame structure" model. Our study enlightens new insights into structures behind mechanical sensitivities for optimizing advanced EMs. [ABSTRACT FROM AUTHOR]

Self-assembly of Cd(II) and Htzib (1-tetrazole-4-imidazole-benzene) under solvothermal condition generated a 3D polymer [Cd 2 Cl 2 (tzib) 2 n ·nH 2 O, which could display relative high thermal stability and interesting tunable ultraviolet-to-visible luminescent property. • Polymer 1 owns novel 3D structure. • Polymer 1 displays interesting tunable ultraviolet-to-visible emissions by simply varying excitation wavelength. • Polymer 1 possesses relative high thermal stability. Solvothermal reaction of CdCl 2 ·2.5H 2 O and 1-tetrazole-4-imidazole-benzene (Htzib) yielded a new cadmium(II) coordination polymer [Cd 2 Cl 2 (tzib) 2 n ·nH 2 O (1), which has been characterized by single-crystal X-ray diffraction analysis. In 1 , metal center Cd(II) ions are linked by μ 2 -Cl and tzib– with μ 3 - κ 3 N1:N2:N6 and μ 4 - κ 4 N1:N3:N4:N6 coordination modes into a novel 3D structure. Due to the lattice water molecules filled in the closed cages of 1, they cannot easily escape from the 3D framework. Because of this structural feature, polymer 1 displays relative high thermal stability up to ~400 °C. Moreover, luminescent properties and theoretical calculations of 1 are also discussed. Interestingly, tunable ultraviolet-to-visible emissions for 1 are observed. [ABSTRACT FROM AUTHOR]