Based on the parent tetrazole 2N-oxide, six series of novel carbon-linked ditetrazole 2N- oxides with different energetic substituent groups （-NH2, -Na, -NO2, NF2, -NHNO2） and energetic bridge groups （-CH2-, -CH2-C...Based on the parent tetrazole 2N-oxide, six series of novel carbon-linked ditetrazole 2N- oxides with different energetic substituent groups （-NH2, -Na, -NO2, NF2, -NHNO2） and energetic bridge groups （-CH2-, -CH2-CH2-, -NH-, -N=N-, -NH-NH-） were designed. The overall performance and the effects of different energetic substituent groups and energetic bridge groups on the performance were investigated by density functional theory and electrostatic potential methods. The results showed that most of designed compounds have oxygen balance around zero, high heats of formation, high density, high energy, and acceptable sensitivity, indicating that tetrazole N-oxide is a useful parent energetic compound employed for obtaining high energy compounds, even only combined with some very common energetic substituent groups and bridge groups. Comprehensively considering the effects on energy and sensitivity, the -NO2, -NF2, -NH- and-NH-NH- are appropriate substituent groups for combining tetrozale N-oxide to design new energetic compounds, while -NH2, -Na, -CH2-CH2-, and -N=N- are inappropriate.展开更多
Heterocyclic skeleton(Azoles)and different energetic groups containing high performing explosives are highly emerged in recent years to meet the challenging requirements of energetic materials in both military and civ...Heterocyclic skeleton(Azoles)and different energetic groups containing high performing explosives are highly emerged in recent years to meet the challenging requirements of energetic materials in both military and civilian applications with improved performance.For this purpose tetrazole(Azole)is identified as an attractive heterocyclic backbone with energetic functional groups nitro(-NO_(2)),nitrato(-ONO_(2)),nitrimino(-NNO_(2)),and nitramino(eNHeNO_(2))to replace the traditionally used high performing explosives.The tetrazole based compounds having these energetic functional groups demonstrated advanced energetic performance(detonation velocity and pressure),densities,and heat of formation(HOF)and became a potential replacement of traditional energetic compounds such as RDX.This review presents a summary of the recently reported nitro-tetrazole energetic compounds containing poly-nitro,di/mono-nitro,nitrato/nitramino/nitrimino,bridged/bis/di tetrazole and nitro functional groups,describing their preparation methods,advance energetic properties,and further applications as highperforming explosives,especially those reported in the last decade.This review aims to provide a fresh concept for designing nitro-tetrazole based high performing explosives together with major challenges and perspectives.展开更多
A series of novel tetrazole containing 1,2,3-thiadiazole derivatives were designed and synthesized via Ugi reaction. Their structures were confirmed by melting points, IR, 1H NMR, and HRMS （ESI）. Preliminary bioassa...A series of novel tetrazole containing 1,2,3-thiadiazole derivatives were designed and synthesized via Ugi reaction. Their structures were confirmed by melting points, IR, 1H NMR, and HRMS （ESI）. Preliminary bioassay indicated that most target compounds exhibited very good direct anti-TMV activity at 100 μg/mL, which was equal to or higher than that of ribavirin. Among them, compounds 4b, 4c and 4i also showed equivalent protection effect to ribavirin in vivo at 100 μg/mL.展开更多
A clean and saIe synthesis method of 5-（4＇-methylbiphenyl-2-yl）-1H-tetrazole was round： under hydrothermal conditions, 1.2 equiv, of 4＇-methylbiphenyl-2-carbonitrile react with 1 equiv, of sodium azide in a mixed...A clean and saIe synthesis method of 5-（4＇-methylbiphenyl-2-yl）-1H-tetrazole was round： under hydrothermal conditions, 1.2 equiv, of 4＇-methylbiphenyl-2-carbonitrile react with 1 equiv, of sodium azide in a mixed solvent of propane-1,2-diol/H2O, with 1.5 equiv, of ammonium chloride and 0.2 equiv. of ammonium fluoride as catalyst. After simple post-processing, the yield can be improved to 95%, and the purity of the product is 99% without further recrystaUization.展开更多
Tetrazole monomers （Ⅰ, Ⅱ） and all of their possible stable dimers （1, 2, 3, 4, 5, 6, 7 and 8） were fully optimized by DFT method at the B3LYP/6-311＋＋G^＊＊ level. Among the eight dimers, there were two 1H-tetr...Tetrazole monomers （Ⅰ, Ⅱ） and all of their possible stable dimers （1, 2, 3, 4, 5, 6, 7 and 8） were fully optimized by DFT method at the B3LYP/6-311＋＋G^＊＊ level. Among the eight dimers, there were two 1H-tetrazole dimers, three 2H-tetrazole dimers and three hetero dimers of 1H-tetrazole and 2H-tetrazole. Vibrational frequencies were calculated to ascertain that each structure was stable （no imaginary frequencies）. The basis set superposition errors （BSSE） are 2.78, 2.28, 2.97, 2.75, 2.74, 2.18, 1.23 and 3.10 kJ/mol, and the zero point energy （ZPE） corrections for the interaction energies are 4.88, 4.18, 3.87, 3.65, 3.54, 3.22, 2.87 and 4.34 kJ/mol for 1, 2, 3, 4, 5, 6, 7 and 8, respectively. After BSSE and ZPE corrections, the greatest corrected intermolecular interaction energy of the dimers is -43.71 kJ/mol. The charge redistribution mainly occurs on the adjacent N-H…N atoms between submolecules. The charge transfer between two subsystems is very small. Natural bond orbital （NBO） analysis was performed to reveal the origin of the interaction. Based on the statistical thermodynamic method, the standard thermodynamic functions, heat capacities （C^0P）, entropies （S^0T） and thermal corrections to enthalpy （H^0T）, and the changes of thermodynamic properties from monomer to dimer in the temperature range of 200.00 K to 700 K have been obtained. 1H-tetrazole monomer can spontaneously turn into two stable dimers at 298.15 K.展开更多
The tetrazole analogues have been synthesized from fluorenylmethoxycarbonyl （Fmoc）- protected amino acids by three steps. The structures of the analogues were characterized by HPLC-MS, ^1H NMR and ^13C NMR.
An efficient route for the synthesis of 5-substituted 1H-tetrazole via[2＋3]cycloaddition of nitriles and sodium azide is reported usingγ-Fe2O3 nanoparticles as a magnetic separable catalyst.Under optimized condition...An efficient route for the synthesis of 5-substituted 1H-tetrazole via[2＋3]cycloaddition of nitriles and sodium azide is reported usingγ-Fe2O3 nanoparticles as a magnetic separable catalyst.Under optimized conditions,the moderate to good yields（71-95%） can be obtained.The catalyst can be easily separated by a magnet and reused for several circles.展开更多
A number of tetrazoles derivatives were prepared by series of steps, the first step includes react （4,5-dichloroimidazole） with （4-aminoacetophenone） to form 1-（4-（（4,5-dichloro-lH-imidazol-2yl）diazenyl）ethan...A number of tetrazoles derivatives were prepared by series of steps, the first step includes react （4,5-dichloroimidazole） with （4-aminoacetophenone） to form 1-（4-（（4,5-dichloro-lH-imidazol-2yl）diazenyl）ethanone （1）. The second step was （1） reaction with （Amines derivatives） to get Schiff bases （2-7）. The third step was reaction of Shciff base with sodiumazide to form tetrazoles derivatives （8-13）. then study the biological activity for all compounds to word two type of bacteria.展开更多
Three cadmium（II）-halide complexes with 5-（ethylthio）-1H-tetrazole（Hett） as ligand, namely [Cd_7Cl_2（ett）_（12）（H_2O）_2]_n（1）, [Cd_2（OH）Br（ett）_2]_n（2） and [Cd_2（OH）I（ett）_2]_n（3）, have been h...Three cadmium（II）-halide complexes with 5-（ethylthio）-1H-tetrazole（Hett） as ligand, namely [Cd_7Cl_2（ett）_（12）（H_2O）_2]_n（1）, [Cd_2（OH）Br（ett）_2]_n（2） and [Cd_2（OH）I（ett）_2]_n（3）, have been hydrothermally synthesized and characterized. Complex 1 was synthesized at pH = 7 and exhibits a 3D supramolecular framework, where the adjacent Cd ions form a tetrahedron unit by ett ligands bridge and the tetrahedron units share vertices to connect each other by ett bridges to form a 2D layer architecture, which is further interlinked by μ_2-Cl to form 3D structures. Complexes 2 and 3 are isostructural, generated at pH = 8.0~9.0, displaying similar 2D networks via ett ligands and different halide ions（Br-in 2, I-in 3, respectively）. In addition, thermal stabilities and luminescent properties of new complexes 1~3 have been studied.展开更多
Two new tetrazole 1-acetato complexes, [Ag（1-tza）（phen）]∞ （1） and [Cd（1- tza）2（2,2＇-bipy）]∞ （2） （1-Htza = tetrazole 1-acetato, phen = 1,10-phenanthroline, 2,2＇-bipy = 2,2＇-bipyridine）, have been syn...Two new tetrazole 1-acetato complexes, [Ag（1-tza）（phen）]∞ （1） and [Cd（1- tza）2（2,2＇-bipy）]∞ （2） （1-Htza = tetrazole 1-acetato, phen = 1,10-phenanthroline, 2,2＇-bipy = 2,2＇-bipyridine）, have been synthesized by solvothermal synthesis and structurally characterized by elemental analyses, IR spectra and single-crystal X-ray diffraction. Complex 1 shows a 1-D chained structure, while the structure of 2 contains two 1-D chains, which is the first 1-tza-based complex containing three different coordination modes of the 1-tza ligand. The aromatic stacking effects play an important role in the formation of supramolecular frameworks of these two complexes. Photoluminescent studies show that the two complexes exhibit efficient luminescence. In addition, optical diffuse reflectance spectra and thermogravimetric analyses of 1 and 2 have also been investigated.展开更多
The solution reactions of the metal salts with 2,2＇-bipyfidine （2,2＇-bipy） and ethyl tetrazole-5-carboxylate （Hetzc） afforded two new tetrazole-based complexes M（2,2＇-bipy）2（etzc）2 （M=Mn 1, Zn 2）, and the...The solution reactions of the metal salts with 2,2＇-bipyfidine （2,2＇-bipy） and ethyl tetrazole-5-carboxylate （Hetzc） afforded two new tetrazole-based complexes M（2,2＇-bipy）2（etzc）2 （M=Mn 1, Zn 2）, and their crystal structures were determined by single-crystal X-ray diffraction analyses. Crystallographic data for 1： C28H26MnN12O4, Mr = 649.55, monoclinic, space group C2/c, a= 19.326（15）, b = 11.051（6）, c = 16.388（13）А,β= 117.38（4）° V= 3108（4） А^3, Z= 4, Dc = 1.388 g/cm^3, F（000） = 1340, R = 0.0557 and wR = 0.1269; and those for 2： C28H26ZnN12O4, Mr = 659.98, monoclinic, space group C2/c, a = 19.173（4）, b = 11.006（2）, c = 16.266（4） А, β= 118.11（3）°, V= 3027.4（11） А^3, Z = 4, Dc=1.448 g/cm3, F（000） = 1360, R = 0.0428 and wR = 0.1000. The structures of 1 and 2 are isomorphic and consist of isolated neutral mononuclear units. The metal atoms have highly distorted octahedral coordination environments with two N atoms from two etzc ligands and four N atoms from two 2,2＇-bipy molecules. The isolated mononuclear units are connected by π…π stacking interactions to generate one-dimensional chains. The thermal stability and photoluminescence have also been discussed.展开更多
Recyclable CuO nanoparticles were successfully employed to catalyze the microwave‐assisted(3+2)cycloaddition reaction between nitriles and NaN3to efficiently synthesize5‐substituted1H‐tetrazoles.The salient feature...Recyclable CuO nanoparticles were successfully employed to catalyze the microwave‐assisted(3+2)cycloaddition reaction between nitriles and NaN3to efficiently synthesize5‐substituted1H‐tetrazoles.The salient features associated with this protocol are its cost effectiveness,rapid synthesis,stability,reusability,mild reaction conditions without any additives,high tolerance to various functional groups,and excellent yields under microwave irradiation.This environmentally friendly,microwave‐assisted,nanoparticle‐catalyzed synthetic methodology is seen as an alternative to conventional procedures that involve Lewis acid catalysts and a simple operation to the privileged scaffold.展开更多
The reaction of picoline derivatives 3-6 with hydrazonoylhalide 1a produced imidazo[1,2-a]pyridines 7-10, while the reaction of the same picoline derivatives with hydrazonoylhalide 1b afforded imidazo[1,2-a]pyridine-2...The reaction of picoline derivatives 3-6 with hydrazonoylhalide 1a produced imidazo[1,2-a]pyridines 7-10, while the reaction of the same picoline derivatives with hydrazonoylhalide 1b afforded imidazo[1,2-a]pyridine-2-ones 11-13. The reaction of 1b, c with 3-amino-1,2,4-triazole 14 produced the acyclic adducts 18 and 19, respectively. Reaction of 1b, 1c with 5-aminotetrazole 20 produced the acyclic products 23 and 24, respectively. Finally, the reaction of 1b with 4, 6-dimethyl-2-aminopyrimidine 27 afforded compound 29 rather than its isomeric structure 28. The structure of the products was confirmed by the different spectroscopic analytical methods including IR, MS, 1HNMR and 13CNMR.展开更多
A series of new metal-free organic dyes that contain donors with triphenylamine or its derivatives and tetrazole-based acceptors were synthesized and characterized by photophysical, electrochemical, and the- oretical ...A series of new metal-free organic dyes that contain donors with triphenylamine or its derivatives and tetrazole-based acceptors were synthesized and characterized by photophysical, electrochemical, and the- oretical computational methods. They were applied in nanocrystalline TiO2 solar cells （DSSCs）. It is found that the introduction of diphenylamine units as antennas in the as-synthesized dyes could improve photo- voltaic performance compared with phenothiazine and carbazole units as antennas in DSSCs. The dye with （2H-tetrazol-5-yl） acrylonitrile electron acceptor also displayed the highest solar-to-electrical energy conver- sion efficiency.展开更多
Two 5-substituted tetrazoles, 5-(2-thienyl)-1,2,3,4-tetrazole (2-THTT) and 5-(4-pyridyl)-1,2,3,4-tetrazole (4-PYTT), as copper corrosion inhibitors in aerated 0.5 M H2SO4 solution were studied by using potentiodynamic...Two 5-substituted tetrazoles, 5-(2-thienyl)-1,2,3,4-tetrazole (2-THTT) and 5-(4-pyridyl)-1,2,3,4-tetrazole (4-PYTT), as copper corrosion inhibitors in aerated 0.5 M H2SO4 solution were studied by using potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and quantum chemical calculation. Polarization curves indicate that inhibition efficiencies of tetrazoles increase with increasing inhibitors concentration. The electrochemical results show that the inhibition efficiency of 2-THTT is higher than that of 4-PYTT. Inhibition efficiency of 2-THTT reached 98.9% at very low concentrations (0.25 mM) by EIS, which makes 2-THTT an efficient inhibitor in aerated 0.5 M H2SO4 solution. The adsorption of 5-substituted tetrazoles on copper surface obeys the Langmuir isotherm. All the computed quantum chemical parameters are found to correlate well with experimental inhibition efficiencies of inhibitors.展开更多
Homochiral coordination polymers(HCPs)represent a class of structurally ordered crystalline materials assembled by the coordination of metal ions or metal clusters with chiral ligands,holding great promise for applica...Homochiral coordination polymers(HCPs)represent a class of structurally ordered crystalline materials assembled by the coordination of metal ions or metal clusters with chiral ligands,holding great promise for applications in catalysis,separation,sensing,and other fields[1-9].Chiral ligands play a central role in the construction of HCPs.Proline and its derivatives have been extensively studied as homogeneous catalysts in a wide range of asymmetric organic reactions,where the pyrrolidine-NH functionality stands out as a pivotal catalytic site[10,11].展开更多
Poly（2,6-dimethyl-l,4-phenylene oxide） was tethered with a 1,5-disubstituted tetrazole through a quaternary ammonium linkage. The formation of a tetrazole-ion network in the resulting polymers was found to promote t...Poly（2,6-dimethyl-l,4-phenylene oxide） was tethered with a 1,5-disubstituted tetrazole through a quaternary ammonium linkage. The formation of a tetrazole-ion network in the resulting polymers was found to promote the hydroxide ion transport through the Grotthus-type mechanism.展开更多
A practical and metal-flee oxidative amidation of aldehydes with tetrazoles into 1,3,4-oxadiazoles has been de- veloped by employing tetrabutylammonium iodide （TBAI） as catalyst and tert-butyl hydroperoxide （TBHP）...A practical and metal-flee oxidative amidation of aldehydes with tetrazoles into 1,3,4-oxadiazoles has been de- veloped by employing tetrabutylammonium iodide （TBAI） as catalyst and tert-butyl hydroperoxide （TBHP） as oxidant. A wide range of 2,5-disubstituted 1,3,4-oxadiazoles can be conveniently generated in moderate to good yields. Gram-scale reaction was also realized in this catalytic system.展开更多
Fully optimized geometries and electronic structures of amino derivatives of tetrazole are obtained at MP2/6-31G* level. The tetrazole rings are planar and aromatic for all the amino derivatives of tetrazole. The amin...Fully optimized geometries and electronic structures of amino derivatives of tetrazole are obtained at MP2/6-31G* level. The tetrazole rings are planar and aromatic for all the amino derivatives of tetrazole. The amino group is not co-planar with the ring and its conformation is mainly determined by the lone pair electronic repulsion between the substituents and the ring. N(4) atom is more negatively charged and is the most probable coordination site. The energy gaps between LUMOs and HOMOs of 2H-aminotetrazoles and C-aminotetrazole neutrals are smaller than those of the corresponding 1H-isomers and N-aminotetrazole neutrals respectively. The IR frequencies, thermodynamic properties and temperature-dependent functions for heat capacities in the fom (a + bT + cT2) in the 300–1000K range are reported.展开更多
基金This work was supported by the Natural Science Foundation of Nanjing Institute of Technology （YKJ201507, CKJA201603） and the Youth Natural Sci- ence Foundation of Jiangsu Province （BK20160774）, and Outstanding Scientific and Technological Innovation Team in Colleges and Universities of Jiangsu Province.
文摘Based on the parent tetrazole 2N-oxide, six series of novel carbon-linked ditetrazole 2N- oxides with different energetic substituent groups （-NH2, -Na, -NO2, NF2, -NHNO2） and energetic bridge groups （-CH2-, -CH2-CH2-, -NH-, -N=N-, -NH-NH-） were designed. The overall performance and the effects of different energetic substituent groups and energetic bridge groups on the performance were investigated by density functional theory and electrostatic potential methods. The results showed that most of designed compounds have oxygen balance around zero, high heats of formation, high density, high energy, and acceptable sensitivity, indicating that tetrazole N-oxide is a useful parent energetic compound employed for obtaining high energy compounds, even only combined with some very common energetic substituent groups and bridge groups. Comprehensively considering the effects on energy and sensitivity, the -NO2, -NF2, -NH- and-NH-NH- are appropriate substituent groups for combining tetrozale N-oxide to design new energetic compounds, while -NH2, -Na, -CH2-CH2-, and -N=N- are inappropriate.
基金We are thankful to the NSAF(U1830134),NSFC(21905023 and 21911530096)for their generous financial support.
文摘Heterocyclic skeleton(Azoles)and different energetic groups containing high performing explosives are highly emerged in recent years to meet the challenging requirements of energetic materials in both military and civilian applications with improved performance.For this purpose tetrazole(Azole)is identified as an attractive heterocyclic backbone with energetic functional groups nitro(-NO_(2)),nitrato(-ONO_(2)),nitrimino(-NNO_(2)),and nitramino(eNHeNO_(2))to replace the traditionally used high performing explosives.The tetrazole based compounds having these energetic functional groups demonstrated advanced energetic performance(detonation velocity and pressure),densities,and heat of formation(HOF)and became a potential replacement of traditional energetic compounds such as RDX.This review presents a summary of the recently reported nitro-tetrazole energetic compounds containing poly-nitro,di/mono-nitro,nitrato/nitramino/nitrimino,bridged/bis/di tetrazole and nitro functional groups,describing their preparation methods,advance energetic properties,and further applications as highperforming explosives,especially those reported in the last decade.This review aims to provide a fresh concept for designing nitro-tetrazole based high performing explosives together with major challenges and perspectives.
基金funded in part by the NSF of Tianjin (No. 10JCZDJC17500)the National Key Project for Basic Research (No. 2010CB126105)+3 种基金National Key Technology Research and Development Program (No. 2011BAE06B02)the Foundation of Achievements Transformation and Application of Tianjin Agricultural Science and Technology (No. 201002250)Tianjin Key Technology Research and Development Program (No. 11ZCGYNC00100)The Commonweal Specialized Research Fund of China Agriculture (Nos. nyhyzx3-21, 201103016 and 201003029)
文摘A series of novel tetrazole containing 1,2,3-thiadiazole derivatives were designed and synthesized via Ugi reaction. Their structures were confirmed by melting points, IR, 1H NMR, and HRMS （ESI）. Preliminary bioassay indicated that most target compounds exhibited very good direct anti-TMV activity at 100 μg/mL, which was equal to or higher than that of ribavirin. Among them, compounds 4b, 4c and 4i also showed equivalent protection effect to ribavirin in vivo at 100 μg/mL.
基金supported by the National Natural Science Foundations of China(Nos.21101026,20931002,20921004,90922005 and 91022003)
文摘A clean and saIe synthesis method of 5-（4＇-methylbiphenyl-2-yl）-1H-tetrazole was round： under hydrothermal conditions, 1.2 equiv, of 4＇-methylbiphenyl-2-carbonitrile react with 1 equiv, of sodium azide in a mixed solvent of propane-1,2-diol/H2O, with 1.5 equiv, of ammonium chloride and 0.2 equiv. of ammonium fluoride as catalyst. After simple post-processing, the yield can be improved to 95%, and the purity of the product is 99% without further recrystaUization.
文摘Tetrazole monomers （Ⅰ, Ⅱ） and all of their possible stable dimers （1, 2, 3, 4, 5, 6, 7 and 8） were fully optimized by DFT method at the B3LYP/6-311＋＋G^＊＊ level. Among the eight dimers, there were two 1H-tetrazole dimers, three 2H-tetrazole dimers and three hetero dimers of 1H-tetrazole and 2H-tetrazole. Vibrational frequencies were calculated to ascertain that each structure was stable （no imaginary frequencies）. The basis set superposition errors （BSSE） are 2.78, 2.28, 2.97, 2.75, 2.74, 2.18, 1.23 and 3.10 kJ/mol, and the zero point energy （ZPE） corrections for the interaction energies are 4.88, 4.18, 3.87, 3.65, 3.54, 3.22, 2.87 and 4.34 kJ/mol for 1, 2, 3, 4, 5, 6, 7 and 8, respectively. After BSSE and ZPE corrections, the greatest corrected intermolecular interaction energy of the dimers is -43.71 kJ/mol. The charge redistribution mainly occurs on the adjacent N-H…N atoms between submolecules. The charge transfer between two subsystems is very small. Natural bond orbital （NBO） analysis was performed to reveal the origin of the interaction. Based on the statistical thermodynamic method, the standard thermodynamic functions, heat capacities （C^0P）, entropies （S^0T） and thermal corrections to enthalpy （H^0T）, and the changes of thermodynamic properties from monomer to dimer in the temperature range of 200.00 K to 700 K have been obtained. 1H-tetrazole monomer can spontaneously turn into two stable dimers at 298.15 K.
基金supported by the National Natural Science Foundation of China(No.20575052)Science Foundation of Northwest University(No.04NW42).
文摘The tetrazole analogues have been synthesized from fluorenylmethoxycarbonyl （Fmoc）- protected amino acids by three steps. The structures of the analogues were characterized by HPLC-MS, ^1H NMR and ^13C NMR.
基金the Jiangsu Province Foundation of Natural Science(No.BK2009678) for the financial support
文摘An efficient route for the synthesis of 5-substituted 1H-tetrazole via[2＋3]cycloaddition of nitriles and sodium azide is reported usingγ-Fe2O3 nanoparticles as a magnetic separable catalyst.Under optimized conditions,the moderate to good yields（71-95%） can be obtained.The catalyst can be easily separated by a magnet and reused for several circles.
文摘A number of tetrazoles derivatives were prepared by series of steps, the first step includes react （4,5-dichloroimidazole） with （4-aminoacetophenone） to form 1-（4-（（4,5-dichloro-lH-imidazol-2yl）diazenyl）ethanone （1）. The second step was （1） reaction with （Amines derivatives） to get Schiff bases （2-7）. The third step was reaction of Shciff base with sodiumazide to form tetrazoles derivatives （8-13）. then study the biological activity for all compounds to word two type of bacteria.
基金supported by the National Natural Science Foundation of China(Nos.21361003 and 21461003)the Natural Science Foundation of Guangxi Province(Nos.2016GXNSFFA380010 and 2014GXNSFBA118056)
文摘Three cadmium（II）-halide complexes with 5-（ethylthio）-1H-tetrazole（Hett） as ligand, namely [Cd_7Cl_2（ett）_（12）（H_2O）_2]_n（1）, [Cd_2（OH）Br（ett）_2]_n（2） and [Cd_2（OH）I（ett）_2]_n（3）, have been hydrothermally synthesized and characterized. Complex 1 was synthesized at pH = 7 and exhibits a 3D supramolecular framework, where the adjacent Cd ions form a tetrahedron unit by ett ligands bridge and the tetrahedron units share vertices to connect each other by ett bridges to form a 2D layer architecture, which is further interlinked by μ_2-Cl to form 3D structures. Complexes 2 and 3 are isostructural, generated at pH = 8.0~9.0, displaying similar 2D networks via ett ligands and different halide ions（Br-in 2, I-in 3, respectively）. In addition, thermal stabilities and luminescent properties of new complexes 1~3 have been studied.
基金supported by the NSF of Jiangxi Province(51302041)the Fujian Institute of Research on the Structure of Matter(20140014)the Key Laboratory of University for Materials Chemistry
文摘Two new tetrazole 1-acetato complexes, [Ag（1-tza）（phen）]∞ （1） and [Cd（1- tza）2（2,2＇-bipy）]∞ （2） （1-Htza = tetrazole 1-acetato, phen = 1,10-phenanthroline, 2,2＇-bipy = 2,2＇-bipyridine）, have been synthesized by solvothermal synthesis and structurally characterized by elemental analyses, IR spectra and single-crystal X-ray diffraction. Complex 1 shows a 1-D chained structure, while the structure of 2 contains two 1-D chains, which is the first 1-tza-based complex containing three different coordination modes of the 1-tza ligand. The aromatic stacking effects play an important role in the formation of supramolecular frameworks of these two complexes. Photoluminescent studies show that the two complexes exhibit efficient luminescence. In addition, optical diffuse reflectance spectra and thermogravimetric analyses of 1 and 2 have also been investigated.
基金supported by the National Natural Science Foundation of China (20871115)the Knowledge Innovation Program of the Chinese Academy of Sciences and Natural Science Foundation of Fujian Province (A0420002 and E0510029)
文摘The solution reactions of the metal salts with 2,2＇-bipyfidine （2,2＇-bipy） and ethyl tetrazole-5-carboxylate （Hetzc） afforded two new tetrazole-based complexes M（2,2＇-bipy）2（etzc）2 （M=Mn 1, Zn 2）, and their crystal structures were determined by single-crystal X-ray diffraction analyses. Crystallographic data for 1： C28H26MnN12O4, Mr = 649.55, monoclinic, space group C2/c, a= 19.326（15）, b = 11.051（6）, c = 16.388（13）А,β= 117.38（4）° V= 3108（4） А^3, Z= 4, Dc = 1.388 g/cm^3, F（000） = 1340, R = 0.0557 and wR = 0.1269; and those for 2： C28H26ZnN12O4, Mr = 659.98, monoclinic, space group C2/c, a = 19.173（4）, b = 11.006（2）, c = 16.266（4） А, β= 118.11（3）°, V= 3027.4（11） А^3, Z = 4, Dc=1.448 g/cm3, F（000） = 1360, R = 0.0428 and wR = 0.1000. The structures of 1 and 2 are isomorphic and consist of isolated neutral mononuclear units. The metal atoms have highly distorted octahedral coordination environments with two N atoms from two etzc ligands and four N atoms from two 2,2＇-bipy molecules. The isolated mononuclear units are connected by π…π stacking interactions to generate one-dimensional chains. The thermal stability and photoluminescence have also been discussed.
基金CSIR-Govt of India for funding through Grant No. 01(2913)/17/EMR-II
文摘Recyclable CuO nanoparticles were successfully employed to catalyze the microwave‐assisted(3+2)cycloaddition reaction between nitriles and NaN3to efficiently synthesize5‐substituted1H‐tetrazoles.The salient features associated with this protocol are its cost effectiveness,rapid synthesis,stability,reusability,mild reaction conditions without any additives,high tolerance to various functional groups,and excellent yields under microwave irradiation.This environmentally friendly,microwave‐assisted,nanoparticle‐catalyzed synthetic methodology is seen as an alternative to conventional procedures that involve Lewis acid catalysts and a simple operation to the privileged scaffold.
文摘The reaction of picoline derivatives 3-6 with hydrazonoylhalide 1a produced imidazo[1,2-a]pyridines 7-10, while the reaction of the same picoline derivatives with hydrazonoylhalide 1b afforded imidazo[1,2-a]pyridine-2-ones 11-13. The reaction of 1b, c with 3-amino-1,2,4-triazole 14 produced the acyclic adducts 18 and 19, respectively. Reaction of 1b, 1c with 5-aminotetrazole 20 produced the acyclic products 23 and 24, respectively. Finally, the reaction of 1b with 4, 6-dimethyl-2-aminopyrimidine 27 afforded compound 29 rather than its isomeric structure 28. The structure of the products was confirmed by the different spectroscopic analytical methods including IR, MS, 1HNMR and 13CNMR.
文摘A series of new metal-free organic dyes that contain donors with triphenylamine or its derivatives and tetrazole-based acceptors were synthesized and characterized by photophysical, electrochemical, and the- oretical computational methods. They were applied in nanocrystalline TiO2 solar cells （DSSCs）. It is found that the introduction of diphenylamine units as antennas in the as-synthesized dyes could improve photo- voltaic performance compared with phenothiazine and carbazole units as antennas in DSSCs. The dye with （2H-tetrazol-5-yl） acrylonitrile electron acceptor also displayed the highest solar-to-electrical energy conver- sion efficiency.
文摘Two 5-substituted tetrazoles, 5-(2-thienyl)-1,2,3,4-tetrazole (2-THTT) and 5-(4-pyridyl)-1,2,3,4-tetrazole (4-PYTT), as copper corrosion inhibitors in aerated 0.5 M H2SO4 solution were studied by using potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and quantum chemical calculation. Polarization curves indicate that inhibition efficiencies of tetrazoles increase with increasing inhibitors concentration. The electrochemical results show that the inhibition efficiency of 2-THTT is higher than that of 4-PYTT. Inhibition efficiency of 2-THTT reached 98.9% at very low concentrations (0.25 mM) by EIS, which makes 2-THTT an efficient inhibitor in aerated 0.5 M H2SO4 solution. The adsorption of 5-substituted tetrazoles on copper surface obeys the Langmuir isotherm. All the computed quantum chemical parameters are found to correlate well with experimental inhibition efficiencies of inhibitors.
基金supported by the National Key R&D Program of China(2022YFA1503300)the National Natural Science Foundation of China(22471273,21971241)。
文摘Homochiral coordination polymers(HCPs)represent a class of structurally ordered crystalline materials assembled by the coordination of metal ions or metal clusters with chiral ligands,holding great promise for applications in catalysis,separation,sensing,and other fields[1-9].Chiral ligands play a central role in the construction of HCPs.Proline and its derivatives have been extensively studied as homogeneous catalysts in a wide range of asymmetric organic reactions,where the pyrrolidine-NH functionality stands out as a pivotal catalytic site[10,11].
基金This project has been supported by the National Natural Science Foundation of China （Grant No. 91534203） and K. C. Wong Education Foundation （2016-11）. Erigene Bakangura is grateful to CAS-TWAS President＇s fellowship for PhD programs.
文摘Poly（2,6-dimethyl-l,4-phenylene oxide） was tethered with a 1,5-disubstituted tetrazole through a quaternary ammonium linkage. The formation of a tetrazole-ion network in the resulting polymers was found to promote the hydroxide ion transport through the Grotthus-type mechanism.
基金This project was financially supported by the National Natural Science Foundation of China （No. 21302014） and the Natural Science Foundation for Colleges and Universities of Jiangsu Province （No. 13KJB 150002）.
文摘A practical and metal-flee oxidative amidation of aldehydes with tetrazoles into 1,3,4-oxadiazoles has been de- veloped by employing tetrabutylammonium iodide （TBAI） as catalyst and tert-butyl hydroperoxide （TBHP） as oxidant. A wide range of 2,5-disubstituted 1,3,4-oxadiazoles can be conveniently generated in moderate to good yields. Gram-scale reaction was also realized in this catalytic system.
基金Project (No. YJ96046) supported by the National Defense Scientific and the Technical Research Foundation of China
文摘Fully optimized geometries and electronic structures of amino derivatives of tetrazole are obtained at MP2/6-31G* level. The tetrazole rings are planar and aromatic for all the amino derivatives of tetrazole. The amino group is not co-planar with the ring and its conformation is mainly determined by the lone pair electronic repulsion between the substituents and the ring. N(4) atom is more negatively charged and is the most probable coordination site. The energy gaps between LUMOs and HOMOs of 2H-aminotetrazoles and C-aminotetrazole neutrals are smaller than those of the corresponding 1H-isomers and N-aminotetrazole neutrals respectively. The IR frequencies, thermodynamic properties and temperature-dependent functions for heat capacities in the fom (a + bT + cT2) in the 300–1000K range are reported.
