An eco-friendly and practical method for the clean preparation of 5-amino-1,2,4-thiadiazoles was devel-oped.With WS_(2)as the semiconductor photocatalyst,both TEMPO and O_(2)(in air)as the redox catalysts,a variety of...An eco-friendly and practical method for the clean preparation of 5-amino-1,2,4-thiadiazoles was devel-oped.With WS_(2)as the semiconductor photocatalyst,both TEMPO and O_(2)(in air)as the redox catalysts,a variety of thiadiazoles were semi-heterogeneously formed in high to quantitative yields and could be easily collected by CPME extraction and rinsing.Furthermore,the catalytic system can be reusable for at least 5 reaction runs.展开更多
A series of 3-pyridinyl-6-aryl-l, 2, 4-triazolo[3, 4-b][1, 3, 4]thiadiazoles(PATT) were prepared, the structures were confirmed by IR and H NMR spectra. The results of cyclic 1 voltammetry measurements imply that all ...A series of 3-pyridinyl-6-aryl-l, 2, 4-triazolo[3, 4-b][1, 3, 4]thiadiazoles(PATT) were prepared, the structures were confirmed by IR and H NMR spectra. The results of cyclic 1 voltammetry measurements imply that all these compounds have a higher electron affinity (EA) than 2-(4-biphenyl)-5-(4-tert-butyl phenyl)-1, 3, 4-oxadiazole (PBD) which implies that PATT could be acting as better electron acceptors than widely used electron transporting material PBD.展开更多
A series of 3,6-disubstituted s-triazolo[3,4-b]-1,3,4-thiadiazoles have been synthesized,whose structures were determined by elemental and spectral analyses;all the new compounds showed significant antibacterial activ...A series of 3,6-disubstituted s-triazolo[3,4-b]-1,3,4-thiadiazoles have been synthesized,whose structures were determined by elemental and spectral analyses;all the new compounds showed significant antibacterial activity.展开更多
Synthesis of a series of new 3,6-diaryl-[1,2,4]triazolo[3,4-b] [1,3,4]thiadiazoles（5a-o） was achieved by phophine free, C-H arylative cross-coupling of 6-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles（4a-o）with su...Synthesis of a series of new 3,6-diaryl-[1,2,4]triazolo[3,4-b] [1,3,4]thiadiazoles（5a-o） was achieved by phophine free, C-H arylative cross-coupling of 6-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles（4a-o）with suitably substituted iodoanilines using 1-（2-naphthoyl）-3-（4-bromophenyl）thiourea as a ligand.The requisite triazolothiadiazoles（4a-o） were obtained by the condensation of 4-amino-1,2,4-triazole-3-thiol（3） with suitably substituted aromatic acids in the presence of phosphoryl chloride.展开更多
Benzyl 4 amino 5 mercapto 1,2,4 triazole reacted with aromatic acids in the presence of phosphorus oxychloride, yielding a series of new compounds, i.e. , 3 benzyl 6 aryl 1,2,4 triazolothiadiazoles, each of which has ...Benzyl 4 amino 5 mercapto 1,2,4 triazole reacted with aromatic acids in the presence of phosphorus oxychloride, yielding a series of new compounds, i.e. , 3 benzyl 6 aryl 1,2,4 triazolothiadiazoles, each of which has an active methylene at 3 position. The structures of all the title compounds were confirmed by elementary analysis, IR, 1H NMR and 13 C NMR spectra.展开更多
6/3-（4-Chlorophenyl）-s-triazolo[3, 4-b][1, 3, 4]thiadiazoles （2,a-e） and （Sa-e） were synthesized respectively by intermolecular cyclization of 5-aryl / 4-chlorophenyl-4-amino-3- mercapto-1, 2, 4-triazoles （la-e...6/3-（4-Chlorophenyl）-s-triazolo[3, 4-b][1, 3, 4]thiadiazoles （2,a-e） and （Sa-e） were synthesized respectively by intermolecular cyclization of 5-aryl / 4-chlorophenyl-4-amino-3- mercapto-1, 2, 4-triazoles （la-e） and （4） with 4-chlorobenzoic acid / aryl acids, which were condensed with piperazine under phase transfer catalyst TBAB to yield the corresponding free bases of monopiperazine derivatives and followed to form water-soluble salts （3a-e） and （6a-e） with hydrochloric acid in good yields. The in vitro biological results showed that piperazine group conjugated with the above fused heterocycles played an important role in antibacterial activity. The structures of novel compounds were confirmed by IR, ＇H NMR, MS and elemental analysis.展开更多
3-(4′-Pyridyl)-4-amino-5-mercapto-1,2,4-triazole(1)reacted with aroyl isothiocyanates 2a-1 to yield twelve novel 3-(4′-pyridyl)-6-aroylamino-S-triazolo[3,4-b]-1,3,4-thiadiazoles,4a-1. Triethylamine was necessary for...3-(4′-Pyridyl)-4-amino-5-mercapto-1,2,4-triazole(1)reacted with aroyl isothiocyanates 2a-1 to yield twelve novel 3-(4′-pyridyl)-6-aroylamino-S-triazolo[3,4-b]-1,3,4-thiadiazoles,4a-1. Triethylamine was necessary for the condensation of 1 with phenyl isothiocyanate(3)to give 3-(4′- pyridyl)-6-phenylamino-S-triazolo[3,4-b]-1,3,4-thiadiazole(6).The structures were confirmed by the elemental and spectral analyses.Their antibacterial activity against B.Subtilis,E.Coli,E. aerogenes and S.aureus was observed preliminary.展开更多
Novel 1, 3, 4-thia(oxa)diazoles containing thienyl groups were synthesized. Analogous to the naturally-occurring compound, a-terthienyl, they can be photosensitized by ultraviolet light and showed phototoxicities agai...Novel 1, 3, 4-thia(oxa)diazoles containing thienyl groups were synthesized. Analogous to the naturally-occurring compound, a-terthienyl, they can be photosensitized by ultraviolet light and showed phototoxicities against the 2nd instar larvae of southern armyworm (Pseudaletia separata Walker), they also showed photocleavage action to pBR322 DNA.展开更多
The principle of using amplification reactions of iodine was employed in this paper to estimate the thiadiazole derivatives on basis of their reactions with iodine I chloroform, removal of the excess iodine and determ...The principle of using amplification reactions of iodine was employed in this paper to estimate the thiadiazole derivatives on basis of their reactions with iodine I chloroform, removal of the excess iodine and determination of the resulting iodide, after oxidation to iodate. The overall reaction gave an amplification of the iodide that is (12) times larger for the compounds: 2-amino-5-mercapto-1,3,4-thiadiazole (I);2,5-dimercapto-1,3,4-thiadiaole (II) and 2,5-diamino-1,3,4-thiadiazole (III) and (36) times for 2,5-dihydrazino-1,3,4-thiadiazole (IV) and (6) times for 5-mercapto-2[(3[5’-nitro-2-’furyl]·methylene)amino]-1,3,4-thiadiazole (V) and 5-mercapto-2[(3[5’-nitro-2-’furyl]-prop-2-enylidene)amino]-1,3,4-thiadiazole (VI). By titration, 1-mL of standard thiosulfate solution was found equivalent to 0.108 mg of (I);0.126 mg of (II), 0.16 mg of (III), 0.041 mg of (IV), 0.40 mg of (V) and 0.435 mg of (VI). Using the spectrophotometric detection for the amplification reaction gave high absorbance values at 605 nm for the blue starch-iodine complex. Beer’s law was obeyed up to 4.0 ppm for compounds (I and II);6.0 ppm for compounds (III, IV and VI) and 5.0 ppm for compound (V). The mechanism of the reactions was proposed and the analytical parameters were evaluated for both methods. The method was applied for synthetic samples of industrial importance. The recovery was comparable while the sensitivity and detection limits were better for the spectrophotometric detection.展开更多
In the present study, a novel series of Mannich bases of 3-substituted 5-(pyridin-4-yl)-1,3, 4-oxadiazol-2-thione derivatives were synthesized. Docking study was performed to rationalize the possible interactions betw...In the present study, a novel series of Mannich bases of 3-substituted 5-(pyridin-4-yl)-1,3, 4-oxadiazol-2-thione derivatives were synthesized. Docking study was performed to rationalize the possible interactions between the synthesized com-pounds and active site of 14DM. The test compounds were screened for antimycobacterial activity using Middlebrook 7H9 medium against M. tuberculosis H37Rv (ATCC 27294) as well as Isoniazid (INH) resistant clinical strain. Among the series 5c and 5a are found to be most potent (susceptible) while the compound 5f did not show activity against M. tuberculosis H37Rv (resistant). The SAR study reveals the importance of substitutions at para position for good activity.展开更多
A series of 1,2,4-triazolo[3,4-b]-thiadiazoles were synthesized following microwave irradiation method and also by conventional method.Newly synthesized compounds were evaluated for their anti-inflammatory and analges...A series of 1,2,4-triazolo[3,4-b]-thiadiazoles were synthesized following microwave irradiation method and also by conventional method.Newly synthesized compounds were evaluated for their anti-inflammatory and analgesic activities.展开更多
The title complex {[AgL]ClO4}n（L=2,5-bis（3-pyridinylmethylthio）-1,3,4-thiadiazole） was synthesized by the reaction of Ag（I） salt and a novel flexible ligand L.Its structure was determined by X-ray crystallograph...The title complex {[AgL]ClO4}n（L=2,5-bis（3-pyridinylmethylthio）-1,3,4-thiadiazole） was synthesized by the reaction of Ag（I） salt and a novel flexible ligand L.Its structure was determined by X-ray crystallography with the following data：monoclinic,space group P21/n,a=16.5068（13）,b=7.6548（4）,c=16.5521（13）A,β=115.119（3）o,V=1893.7（2）A^3,Z=4,Dc=1.893 g/cm^3,μ=1.565 mm^-1,F（000）=1072,C14H12AgClN4O4S3,Mr=539.78,T=293（2） K,S=1.067,the final R=0.0342 and wR=0.0870.The silver ion in the complex is in a trigonal coordination geometry to link three different L.Meanwhile,each L connects three different silver ions by its N coordination sites to form a two-dimensional layer structure.展开更多
Non-fused ring electron acceptors(NFREAs)have a broad application prospect in the commercialization of organic solar cells(OSCs)due to the advantages of simple synthesis and low cost.The selection of intermediate bloc...Non-fused ring electron acceptors(NFREAs)have a broad application prospect in the commercialization of organic solar cells(OSCs)due to the advantages of simple synthesis and low cost.The selection of intermediate block cores of non-fused frameworks and the establishment of the relationship between molecular structure and device performance are crucial for the realization of high-performance OSCs.Herein,two A-D-A’-D-A type NFREAs namely CBTBO-4F and CBTBO-4Cl,constructed with a novel electron-deficient block unit N-(2-butyloctyl)-carbazole[3,4-c:5,6-c]bis[1,2,5]thiadiazole(CBT)and bridging unit 4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b’]dithiophene(DTC)coupling with different terminals(IC-2F/2Cl),were designed and synthesized.The two NFREAs feature broad and strong photoresponse from 500 nm to 900 nm due to the strong intramolecular charge transfer characteristics.Compared with CBTBO-4F,CBTBO-4Cl shows better molecular planarity,stronger crystallinity,more ordered molecular stacking,larger van der Waals surface,lower energy level and better active layer morphology,contributing to much better charge separation and transport behaviors in its based devices.As a result,the CBTBO-4Cl based device obtains a higher power conversion efficiency of 10.18%with an open-circuit voltage of 0.80 V and a short-circuit current density of 21.20 mA/cm^(2).These results not only demonstrate the great potential of CBT,a new building block of the benzothiazole family,in the construction of high-performance organic conjugated semiconductors,but also suggest that the terminal chlorination is an effective strategy to improve device performance.展开更多
A new series of Schiff base ligands were synthesized by the condensation of 2-amino-5-mercaptan-l,3,4-thiadiazole and salicylaldehyde or 2,4-dihydroxybenzaldehyde and their derivatives with choroacetic acid, and furth...A new series of Schiff base ligands were synthesized by the condensation of 2-amino-5-mercaptan-l,3,4-thiadiazole and salicylaldehyde or 2,4-dihydroxybenzaldehyde and their derivatives with choroacetic acid, and further reaction with corresponding metal acetate to form metal complexes. The compositions and structures of the ligands and their complexes were characterized by elemental analysis, molar conductivities, electronic absorption spectra and infra-red spectra. Their inhibition rates to free radical, such as O2, were also tested. The results show that all of the obtained complexes display significant activities, among which the copper（Ⅱ） complexes have the best inhibitive effects.展开更多
The crystal structure of the title compound 3 (4 Chloro 3 ethyl 1 methyl 1H pyrazol 5 yl) 6 (E)phenylvinyltriazolo[3,4 b] 1,3,4 thiadiazole (C 17 H 15 ClN 6S, M r =370.87) was determined by...The crystal structure of the title compound 3 (4 Chloro 3 ethyl 1 methyl 1H pyrazol 5 yl) 6 (E)phenylvinyltriazolo[3,4 b] 1,3,4 thiadiazole (C 17 H 15 ClN 6S, M r =370.87) was determined by single crystal X ray diffraction. The crystal is monoclinic, space group P2 1/n , a=10.862(2), b=11.541(2), c=14\^994(3), β=108.41(3)°, V=1783(1), Z=4, D x =1.381 g/cm -3 , μ =0.3361 mm -1 , and F (000)=768. The results confirmed that the title compound belongs to type E of stereochemistry. The dihedral angle between triazole and 1,3,4 thiadiaole ring is 3° and the torsion angle between 1,3,4 thiadiazole and pyrazole ring is 134.0°.展开更多
The corrosion inhibition of type 304 austenitic stainless steel by 2-amino-5-ethyl-1, 3, 4-thiadiazole(TTD) compound and the electrochemical behaviour in dilute HCl solution were investigated through potentiodynamic p...The corrosion inhibition of type 304 austenitic stainless steel by 2-amino-5-ethyl-1, 3, 4-thiadiazole(TTD) compound and the electrochemical behaviour in dilute HCl solution were investigated through potentiodynamic polarization test, mass loss techniques and potential measurements. The results show that the organic derivative is highly effective with a maximum inhibition efficiency of 70.22% from mass loss analysis, while 74.2% is obtained from polarization tests. Observation of the scanning electron micrographs shows the absence of corrosion products due to electrochemical influence of TTD on the surface morphology of the steel. X-ray diffractometry reveals the absence of phase compounds and complexes on the steel samples after exposure. TTD adsorption on the steel surface obeys the Langmuir, Frumkin and Freundlich adsorption isotherms. Corrosion thermodynamic calculations reveal the inhibition mechanism occurs through chemisorption process and results from statistical analysis depict the strong influence of inhibitor concentration on the electrochemical performance of the TTD.展开更多
Two comparable discrete complexes [CuⅡ（CH3CN）2L2]·2（ClO4） 1 and [CuI2I2L2]·（DMF）2 2 were successfully synthesized by the reaction of CuⅡ and CuⅠ salts with a novel dinucleating ligand 2,5-bis（3-pyr...Two comparable discrete complexes [CuⅡ（CH3CN）2L2]·2（ClO4） 1 and [CuI2I2L2]·（DMF）2 2 were successfully synthesized by the reaction of CuⅡ and CuⅠ salts with a novel dinucleating ligand 2,5-bis（3-pyridinylmethylthio）-1,3,4-thiadiazole）（L）,respectively.Complex 1 presents a single nuclear structure while 2 has a dimeric structure where two CuI ions are doubly bridged by halide ions in a μ2-fashion.Both discrete molecules were outspreaded into a one-dimensional supramolecular chain via aromatic interactions such as C–H…π and π…π interactions.展开更多
The title compound C18H16N4O2S has been synthesized by the reaction of 4-amino-3-（4-ethoxyphenyl）-5-mercapto-1,2,4-triazole with phenoxyacetic acid in phospho- rus oxychloride, and characterized by IR, NMR spectra a...The title compound C18H16N4O2S has been synthesized by the reaction of 4-amino-3-（4-ethoxyphenyl）-5-mercapto-1,2,4-triazole with phenoxyacetic acid in phospho- rus oxychloride, and characterized by IR, NMR spectra and elemental analysis. Its structure was determined by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 1.4903（3）, b = 1.5230（2）, c = 0.9615（16） nm, Z = 4, V = 1.7769（5） nm^3, Dc = 1.317 g/cm^3, μ = 0.201 mm^-1, F（000） = 736, R = 0.0795 and wR = 0.2233. In the title compound, all rings are essentially planar.展开更多
The title compound has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction.The crystal is of orthorhombic system （C23H25N3O12S2,Mr=599.58）,space group P212121 with a=6.2102...The title compound has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction.The crystal is of orthorhombic system （C23H25N3O12S2,Mr=599.58）,space group P212121 with a=6.2102（12）,b=17.803（4）,c=24.223（5）,V=2678.0（9）3,Z=4,Dc=1.487 g/cm3,F（000）=1248,μ=0.268 mm-1,the final R=0.0483 and wR=0.1108 for 4174 observed reflections （I 〉 2σ（I））.The C=S bond,which parallels to the anomeric C-H,adopts α orientation relative to the anomeric position of glucopyranoside.展开更多
基金financial support from University of South China
文摘An eco-friendly and practical method for the clean preparation of 5-amino-1,2,4-thiadiazoles was devel-oped.With WS_(2)as the semiconductor photocatalyst,both TEMPO and O_(2)(in air)as the redox catalysts,a variety of thiadiazoles were semi-heterogeneously formed in high to quantitative yields and could be easily collected by CPME extraction and rinsing.Furthermore,the catalytic system can be reusable for at least 5 reaction runs.
文摘A series of 3-pyridinyl-6-aryl-l, 2, 4-triazolo[3, 4-b][1, 3, 4]thiadiazoles(PATT) were prepared, the structures were confirmed by IR and H NMR spectra. The results of cyclic 1 voltammetry measurements imply that all these compounds have a higher electron affinity (EA) than 2-(4-biphenyl)-5-(4-tert-butyl phenyl)-1, 3, 4-oxadiazole (PBD) which implies that PATT could be acting as better electron acceptors than widely used electron transporting material PBD.
文摘A series of 3,6-disubstituted s-triazolo[3,4-b]-1,3,4-thiadiazoles have been synthesized,whose structures were determined by elemental and spectral analyses;all the new compounds showed significant antibacterial activity.
文摘Synthesis of a series of new 3,6-diaryl-[1,2,4]triazolo[3,4-b] [1,3,4]thiadiazoles（5a-o） was achieved by phophine free, C-H arylative cross-coupling of 6-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles（4a-o）with suitably substituted iodoanilines using 1-（2-naphthoyl）-3-（4-bromophenyl）thiourea as a ligand.The requisite triazolothiadiazoles（4a-o） were obtained by the condensation of 4-amino-1,2,4-triazole-3-thiol（3） with suitably substituted aromatic acids in the presence of phosphoryl chloride.
基金Supported by the National Natural Science Foundation of Chinathe University Backbone Teachers Foundation of theEducation Ministry of Chinaand Zhejiang Province Education Department
文摘Benzyl 4 amino 5 mercapto 1,2,4 triazole reacted with aromatic acids in the presence of phosphorus oxychloride, yielding a series of new compounds, i.e. , 3 benzyl 6 aryl 1,2,4 triazolothiadiazoles, each of which has an active methylene at 3 position. The structures of all the title compounds were confirmed by elementary analysis, IR, 1H NMR and 13 C NMR spectra.
基金This project was supported by the State Basic Research and Development Project(No.G1998051112).
文摘6/3-（4-Chlorophenyl）-s-triazolo[3, 4-b][1, 3, 4]thiadiazoles （2,a-e） and （Sa-e） were synthesized respectively by intermolecular cyclization of 5-aryl / 4-chlorophenyl-4-amino-3- mercapto-1, 2, 4-triazoles （la-e） and （4） with 4-chlorobenzoic acid / aryl acids, which were condensed with piperazine under phase transfer catalyst TBAB to yield the corresponding free bases of monopiperazine derivatives and followed to form water-soluble salts （3a-e） and （6a-e） with hydrochloric acid in good yields. The in vitro biological results showed that piperazine group conjugated with the above fused heterocycles played an important role in antibacterial activity. The structures of novel compounds were confirmed by IR, ＇H NMR, MS and elemental analysis.
基金This work was presented at the First International Symposium of Chinese Organic Chemists(Shanghai,China,July,1990).
文摘3-(4′-Pyridyl)-4-amino-5-mercapto-1,2,4-triazole(1)reacted with aroyl isothiocyanates 2a-1 to yield twelve novel 3-(4′-pyridyl)-6-aroylamino-S-triazolo[3,4-b]-1,3,4-thiadiazoles,4a-1. Triethylamine was necessary for the condensation of 1 with phenyl isothiocyanate(3)to give 3-(4′- pyridyl)-6-phenylamino-S-triazolo[3,4-b]-1,3,4-thiadiazole(6).The structures were confirmed by the elemental and spectral analyses.Their antibacterial activity against B.Subtilis,E.Coli,E. aerogenes and S.aureus was observed preliminary.
文摘Novel 1, 3, 4-thia(oxa)diazoles containing thienyl groups were synthesized. Analogous to the naturally-occurring compound, a-terthienyl, they can be photosensitized by ultraviolet light and showed phototoxicities against the 2nd instar larvae of southern armyworm (Pseudaletia separata Walker), they also showed photocleavage action to pBR322 DNA.
文摘The principle of using amplification reactions of iodine was employed in this paper to estimate the thiadiazole derivatives on basis of their reactions with iodine I chloroform, removal of the excess iodine and determination of the resulting iodide, after oxidation to iodate. The overall reaction gave an amplification of the iodide that is (12) times larger for the compounds: 2-amino-5-mercapto-1,3,4-thiadiazole (I);2,5-dimercapto-1,3,4-thiadiaole (II) and 2,5-diamino-1,3,4-thiadiazole (III) and (36) times for 2,5-dihydrazino-1,3,4-thiadiazole (IV) and (6) times for 5-mercapto-2[(3[5’-nitro-2-’furyl]·methylene)amino]-1,3,4-thiadiazole (V) and 5-mercapto-2[(3[5’-nitro-2-’furyl]-prop-2-enylidene)amino]-1,3,4-thiadiazole (VI). By titration, 1-mL of standard thiosulfate solution was found equivalent to 0.108 mg of (I);0.126 mg of (II), 0.16 mg of (III), 0.041 mg of (IV), 0.40 mg of (V) and 0.435 mg of (VI). Using the spectrophotometric detection for the amplification reaction gave high absorbance values at 605 nm for the blue starch-iodine complex. Beer’s law was obeyed up to 4.0 ppm for compounds (I and II);6.0 ppm for compounds (III, IV and VI) and 5.0 ppm for compound (V). The mechanism of the reactions was proposed and the analytical parameters were evaluated for both methods. The method was applied for synthetic samples of industrial importance. The recovery was comparable while the sensitivity and detection limits were better for the spectrophotometric detection.
文摘In the present study, a novel series of Mannich bases of 3-substituted 5-(pyridin-4-yl)-1,3, 4-oxadiazol-2-thione derivatives were synthesized. Docking study was performed to rationalize the possible interactions between the synthesized com-pounds and active site of 14DM. The test compounds were screened for antimycobacterial activity using Middlebrook 7H9 medium against M. tuberculosis H37Rv (ATCC 27294) as well as Isoniazid (INH) resistant clinical strain. Among the series 5c and 5a are found to be most potent (susceptible) while the compound 5f did not show activity against M. tuberculosis H37Rv (resistant). The SAR study reveals the importance of substitutions at para position for good activity.
文摘A series of 1,2,4-triazolo[3,4-b]-thiadiazoles were synthesized following microwave irradiation method and also by conventional method.Newly synthesized compounds were evaluated for their anti-inflammatory and analgesic activities.
基金Supported by the National Natural Science Foundation of China (Nos 20801004/B01, 20871016/B0101, 10876002/A06)the 111 Project (B07012)Excellent Young Scholars Research Fund of Beijing Institute of Technology (No 2006Y0715)
文摘The title complex {[AgL]ClO4}n（L=2,5-bis（3-pyridinylmethylthio）-1,3,4-thiadiazole） was synthesized by the reaction of Ag（I） salt and a novel flexible ligand L.Its structure was determined by X-ray crystallography with the following data：monoclinic,space group P21/n,a=16.5068（13）,b=7.6548（4）,c=16.5521（13）A,β=115.119（3）o,V=1893.7（2）A^3,Z=4,Dc=1.893 g/cm^3,μ=1.565 mm^-1,F（000）=1072,C14H12AgClN4O4S3,Mr=539.78,T=293（2） K,S=1.067,the final R=0.0342 and wR=0.0870.The silver ion in the complex is in a trigonal coordination geometry to link three different L.Meanwhile,each L connects three different silver ions by its N coordination sites to form a two-dimensional layer structure.
基金This work was financially supported by the National Natural Science Foundation of China(NSFC,Nos.51973032,21905043 and 51833004)the“Chenguang Program”supported by Shanghai Education Development Foundation and Shanghai Municipal Education Commission(No.19CG36)+4 种基金the Jiangxi Provincial Natural Science Foundation(Nos.20212ACB203005 and 20212BAB213018)the Thousand Talents Plan of Jiangxi Province(No.jxsq2019101051)the Jiangxi Provincial Education Department Science and Technology Research Foundation(No.GJJ210310)X.Xia and X.Lu acknowledge the financial support from Research Grants Council(RGC)of Hong Kong(General Research Fund No.14303519)Y.Chen expresses thanks for the support from the Fundamental Research Funds for the Central Universities and Graduate Student Innovation Fund of Donghua University(No.CUSF-DH-D-2021008).
文摘Non-fused ring electron acceptors(NFREAs)have a broad application prospect in the commercialization of organic solar cells(OSCs)due to the advantages of simple synthesis and low cost.The selection of intermediate block cores of non-fused frameworks and the establishment of the relationship between molecular structure and device performance are crucial for the realization of high-performance OSCs.Herein,two A-D-A’-D-A type NFREAs namely CBTBO-4F and CBTBO-4Cl,constructed with a novel electron-deficient block unit N-(2-butyloctyl)-carbazole[3,4-c:5,6-c]bis[1,2,5]thiadiazole(CBT)and bridging unit 4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b’]dithiophene(DTC)coupling with different terminals(IC-2F/2Cl),were designed and synthesized.The two NFREAs feature broad and strong photoresponse from 500 nm to 900 nm due to the strong intramolecular charge transfer characteristics.Compared with CBTBO-4F,CBTBO-4Cl shows better molecular planarity,stronger crystallinity,more ordered molecular stacking,larger van der Waals surface,lower energy level and better active layer morphology,contributing to much better charge separation and transport behaviors in its based devices.As a result,the CBTBO-4Cl based device obtains a higher power conversion efficiency of 10.18%with an open-circuit voltage of 0.80 V and a short-circuit current density of 21.20 mA/cm^(2).These results not only demonstrate the great potential of CBT,a new building block of the benzothiazole family,in the construction of high-performance organic conjugated semiconductors,but also suggest that the terminal chlorination is an effective strategy to improve device performance.
基金Funded by the Natural Science Foundation of Chongqing City ([2003]7974).
文摘A new series of Schiff base ligands were synthesized by the condensation of 2-amino-5-mercaptan-l,3,4-thiadiazole and salicylaldehyde or 2,4-dihydroxybenzaldehyde and their derivatives with choroacetic acid, and further reaction with corresponding metal acetate to form metal complexes. The compositions and structures of the ligands and their complexes were characterized by elemental analysis, molar conductivities, electronic absorption spectra and infra-red spectra. Their inhibition rates to free radical, such as O2, were also tested. The results show that all of the obtained complexes display significant activities, among which the copper（Ⅱ） complexes have the best inhibitive effects.
文摘The crystal structure of the title compound 3 (4 Chloro 3 ethyl 1 methyl 1H pyrazol 5 yl) 6 (E)phenylvinyltriazolo[3,4 b] 1,3,4 thiadiazole (C 17 H 15 ClN 6S, M r =370.87) was determined by single crystal X ray diffraction. The crystal is monoclinic, space group P2 1/n , a=10.862(2), b=11.541(2), c=14\^994(3), β=108.41(3)°, V=1783(1), Z=4, D x =1.381 g/cm -3 , μ =0.3361 mm -1 , and F (000)=768. The results confirmed that the title compound belongs to type E of stereochemistry. The dihedral angle between triazole and 1,3,4 thiadiaole ring is 3° and the torsion angle between 1,3,4 thiadiazole and pyrazole ring is 134.0°.
文摘The corrosion inhibition of type 304 austenitic stainless steel by 2-amino-5-ethyl-1, 3, 4-thiadiazole(TTD) compound and the electrochemical behaviour in dilute HCl solution were investigated through potentiodynamic polarization test, mass loss techniques and potential measurements. The results show that the organic derivative is highly effective with a maximum inhibition efficiency of 70.22% from mass loss analysis, while 74.2% is obtained from polarization tests. Observation of the scanning electron micrographs shows the absence of corrosion products due to electrochemical influence of TTD on the surface morphology of the steel. X-ray diffractometry reveals the absence of phase compounds and complexes on the steel samples after exposure. TTD adsorption on the steel surface obeys the Langmuir, Frumkin and Freundlich adsorption isotherms. Corrosion thermodynamic calculations reveal the inhibition mechanism occurs through chemisorption process and results from statistical analysis depict the strong influence of inhibitor concentration on the electrochemical performance of the TTD.
基金Supported by the National Natural Science Foundation of China (Nos 20801004/B01, 20871016/B0101, 10876002/A06)the 111 Project (B07012)Excellent Young Scholars Research Fund of Beijing Institute of Technology (No 2006Y0715)
文摘Two comparable discrete complexes [CuⅡ（CH3CN）2L2]·2（ClO4） 1 and [CuI2I2L2]·（DMF）2 2 were successfully synthesized by the reaction of CuⅡ and CuⅠ salts with a novel dinucleating ligand 2,5-bis（3-pyridinylmethylthio）-1,3,4-thiadiazole）（L）,respectively.Complex 1 presents a single nuclear structure while 2 has a dimeric structure where two CuI ions are doubly bridged by halide ions in a μ2-fashion.Both discrete molecules were outspreaded into a one-dimensional supramolecular chain via aromatic interactions such as C–H…π and π…π interactions.
基金This work was supported by the Natural Science Foundation of Zhejiang Province (No. M203149)
文摘The title compound C18H16N4O2S has been synthesized by the reaction of 4-amino-3-（4-ethoxyphenyl）-5-mercapto-1,2,4-triazole with phenoxyacetic acid in phospho- rus oxychloride, and characterized by IR, NMR spectra and elemental analysis. Its structure was determined by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 1.4903（3）, b = 1.5230（2）, c = 0.9615（16） nm, Z = 4, V = 1.7769（5） nm^3, Dc = 1.317 g/cm^3, μ = 0.201 mm^-1, F（000） = 736, R = 0.0795 and wR = 0.2233. In the title compound, all rings are essentially planar.
基金Supported by Scientific and Technological Support Plan by State Ministry of Science and Technology (2007BAI40B01)
文摘The title compound has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction.The crystal is of orthorhombic system （C23H25N3O12S2,Mr=599.58）,space group P212121 with a=6.2102（12）,b=17.803（4）,c=24.223（5）,V=2678.0（9）3,Z=4,Dc=1.487 g/cm3,F（000）=1248,μ=0.268 mm-1,the final R=0.0483 and wR=0.1108 for 4174 observed reflections （I 〉 2σ（I））.The C=S bond,which parallels to the anomeric C-H,adopts α orientation relative to the anomeric position of glucopyranoside.
