Solvothermal reaction of aromatic 2,6-bis（4＇-carboxyphenyl）-4-phenylpyridine （H2bpp） ligand and nickel cation in the presence of 1,10-phenanthroline （phen） affords one new coordination polymer （CPs）, [Ni（bp...Solvothermal reaction of aromatic 2,6-bis（4＇-carboxyphenyl）-4-phenylpyridine （H2bpp） ligand and nickel cation in the presence of 1,10-phenanthroline （phen） affords one new coordination polymer （CPs）, [Ni（bpp）（phen）（H20]n （1）. The structure has been determined by single-crystal X-ray diffraction analysis and further characterized by elemental analyses, IR, PXRD and luminescence. Ions of Nin in 1 are linked via bpp2 to form chains, which are further connected through non-covalent interactions （including O-H...O and n...zr interactions） to form a 3D packing diagram. The crystal ofl crystallizes in triclinic, space group PI with a = 10.998（10）, b = 12.019（10）, c = 12.485（11） A, a = 75.774（14）, β = 85.828（16）, y = 66.542（13）°, V= 1467（2）/k^3, Z = 2, C38H26N2O5Ni, Mr= 649.32, Dc = 1.470 g/cm^3, F（000） = 672 andμ（MoKa） = 0.721 mm-1. The final R = 0.0692 and wR = 0.1048 for 5116 observed reflections with/〉 20（/） andR = 0.0874 and wR = 0.1364 for all data.展开更多
Sodium 3,5-bis(hydroxyimino)-1-methyl-2,4,6-trioxocyclohexanide C7H5N2NaO5 (I) has been isolated as the only product of the reaction of nitrosation of methylphloroglucinol. The structure of the titled compound has bee...Sodium 3,5-bis(hydroxyimino)-1-methyl-2,4,6-trioxocyclohexanide C7H5N2NaO5 (I) has been isolated as the only product of the reaction of nitrosation of methylphloroglucinol. The structure of the titled compound has been determined from single crystal X-ray diffraction data. The hydrated C7H5N2NaO52.5H2O crystallizes in the monoclinic space group C2/c, with a(?) 16.408(3);b(?) 12.446(3);c(?) 13.716(3);(o) 126.34(3). The planar organic anion exists in a triketo-dihydroxyimino form with the C–O and C–N distances from 1.220(2) to 1.271(2)?? and from 1.292(2) to 1.293?? respectively. In the IR spectrum of I, the sharp absorption band occurred at 1681 cm-1 due to C=O stretching indicating the strong H-interactions. The correlations of theoretical (DFT-B3LYP/aug-cc-pVDZ) and experimental UV-vis absorption spectra in neutral and alkaline ethanolic solutions showed the existence of hydroxyimino-nitroso tautomerism while ionization of I.展开更多
Hydrothermal reactions of three aromatic polycarboxylic acids and the transitional metal cations in the presence of phen and 1,4-bib afford three new coordination polymers： [Cd2（bpp）1.5（Hbpp）（phen）2]n （1）, [...Hydrothermal reactions of three aromatic polycarboxylic acids and the transitional metal cations in the presence of phen and 1,4-bib afford three new coordination polymers： [Cd2（bpp）1.5（Hbpp）（phen）2]n （1）, [Mn3（Htptc）2（phen）2（H2O）2]n （2）, and {[Cu（btc）0.5（1,4- bib）]·2H2O}n（3） （H2bpp = 2,6-bis（4＇-carboxyphenyl）-4-phenylpyridine, H4tptc = terphenyl-2,5,2＇,5＇-tetracar- boxylic acid, H4btc =biphenyl-2,2＇,4,4＇-tetracarboxylic acid, phen =1,10-phenanthroline, and 1,4-bib = 1,4-bis（1H-imidazol-1-yl）benzene）. Their structures have been determined by single- crystal X-ray diffraction analyses, elemental analyses, IR spectra, and powder X-ray diffraction （PXRD） analyses. In compound 1, the CdII cations are linked by bpp2- to form one ladder structure, based on which a 3D network is constructed with the help of non-covalent interactions. The topology of 2 is a 3D （3,4,5）-connected framework with the Point Schl？fli symbol of （42.6）2（43.62.8）（45.64.8）2. Compound 3 shows an unprecedented 3D （4,4）-connected framework with the Point Schl？fli symbol of （64.82）2（65.8）. Moreover, the luminescent property of 1 has been investigated.展开更多
基金supported by the National Natural Science Foundation of China (No.21101097)Natural Science Foundation of Shandong Province (ZR2010BQ023)+1 种基金the State Key Laboratory of Solid Lubrication (No.0701)the Project of Education Department of Shandong Province (No.J10LB53)
文摘Solvothermal reaction of aromatic 2,6-bis（4＇-carboxyphenyl）-4-phenylpyridine （H2bpp） ligand and nickel cation in the presence of 1,10-phenanthroline （phen） affords one new coordination polymer （CPs）, [Ni（bpp）（phen）（H20]n （1）. The structure has been determined by single-crystal X-ray diffraction analysis and further characterized by elemental analyses, IR, PXRD and luminescence. Ions of Nin in 1 are linked via bpp2 to form chains, which are further connected through non-covalent interactions （including O-H...O and n...zr interactions） to form a 3D packing diagram. The crystal ofl crystallizes in triclinic, space group PI with a = 10.998（10）, b = 12.019（10）, c = 12.485（11） A, a = 75.774（14）, β = 85.828（16）, y = 66.542（13）°, V= 1467（2）/k^3, Z = 2, C38H26N2O5Ni, Mr= 649.32, Dc = 1.470 g/cm^3, F（000） = 672 andμ（MoKa） = 0.721 mm-1. The final R = 0.0692 and wR = 0.1048 for 5116 observed reflections with/〉 20（/） andR = 0.0874 and wR = 0.1364 for all data.
文摘Sodium 3,5-bis(hydroxyimino)-1-methyl-2,4,6-trioxocyclohexanide C7H5N2NaO5 (I) has been isolated as the only product of the reaction of nitrosation of methylphloroglucinol. The structure of the titled compound has been determined from single crystal X-ray diffraction data. The hydrated C7H5N2NaO52.5H2O crystallizes in the monoclinic space group C2/c, with a(?) 16.408(3);b(?) 12.446(3);c(?) 13.716(3);(o) 126.34(3). The planar organic anion exists in a triketo-dihydroxyimino form with the C–O and C–N distances from 1.220(2) to 1.271(2)?? and from 1.292(2) to 1.293?? respectively. In the IR spectrum of I, the sharp absorption band occurred at 1681 cm-1 due to C=O stretching indicating the strong H-interactions. The correlations of theoretical (DFT-B3LYP/aug-cc-pVDZ) and experimental UV-vis absorption spectra in neutral and alkaline ethanolic solutions showed the existence of hydroxyimino-nitroso tautomerism while ionization of I.
基金supported by the National Natural Science Foundation of China(20873150)the Natural Science Foundation of Shandong Province(ZR2010BL012,ZR2010BQ023)
文摘Hydrothermal reactions of three aromatic polycarboxylic acids and the transitional metal cations in the presence of phen and 1,4-bib afford three new coordination polymers： [Cd2（bpp）1.5（Hbpp）（phen）2]n （1）, [Mn3（Htptc）2（phen）2（H2O）2]n （2）, and {[Cu（btc）0.5（1,4- bib）]·2H2O}n（3） （H2bpp = 2,6-bis（4＇-carboxyphenyl）-4-phenylpyridine, H4tptc = terphenyl-2,5,2＇,5＇-tetracar- boxylic acid, H4btc =biphenyl-2,2＇,4,4＇-tetracarboxylic acid, phen =1,10-phenanthroline, and 1,4-bib = 1,4-bis（1H-imidazol-1-yl）benzene）. Their structures have been determined by single- crystal X-ray diffraction analyses, elemental analyses, IR spectra, and powder X-ray diffraction （PXRD） analyses. In compound 1, the CdII cations are linked by bpp2- to form one ladder structure, based on which a 3D network is constructed with the help of non-covalent interactions. The topology of 2 is a 3D （3,4,5）-connected framework with the Point Schl？fli symbol of （42.6）2（43.62.8）（45.64.8）2. Compound 3 shows an unprecedented 3D （4,4）-connected framework with the Point Schl？fli symbol of （64.82）2（65.8）. Moreover, the luminescent property of 1 has been investigated.
