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Synthesis and Crystal Structure of a Seven-coordinate Cadmium(Ⅱ) Complex 被引量:2
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作者 王瑞虎 洪茂椿 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2002年第3期268-272,共5页
The reaction of 4-hydroxybenzoic acid (H2L),4, 4-diaminodiphenylmethane (DADPM) and Cd(NO3)2?H2O in methane/water gave rise to a seven-coordinate Cd(Ⅱ) complex [Cd2(HL)4(H2O)6]?H2O which has been characterized by sin... The reaction of 4-hydroxybenzoic acid (H2L),4, 4-diaminodiphenylmethane (DADPM) and Cd(NO3)2?H2O in methane/water gave rise to a seven-coordinate Cd(Ⅱ) complex [Cd2(HL)4(H2O)6]?H2O which has been characterized by single-crystal X-ray diffraction. The complex crystallizes in the orthorhombic system, space group Pna21 with unit cell parameters: a = 10.3352(3), b = 12.0481(3), c = 28.2016(1) ? V = 3511.65(13) 3, Z = 4, C28H36Cd2O20, Mr = 917.37, Dc = 1.735 g/cm3, F(000) = 1840, (MoK? = 1.29mm-1. The final R and wR are 0.0536 and 0.1086 for 4898 observed reflections with I ≥ 4(I). The Cd(Ⅱ) is seven-coordinated in a distorted pentagonal bipyramidal geometry. The inter-molecular hydrogen bonds lead to the formation of a two-dimensional layer structure. 展开更多
关键词 seven-coordinate complex cadmium(Ⅱ) complex hydrogen bonding crystal structure
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CRYSTAL STRUCTURE OF SEVEN-COORDINATE ZIRCONOCENE COMPLEX (CH_3C_5H_4) Zr(S_2CNBz_2)_3 (Bz=CH_2C_6H_5)
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作者 Zhi Qiang WANG Shi Wei LU +1 位作者 He Fu GUO Niag Hai HU 《Chinese Chemical Letters》 SCIE CAS CSCD 1991年第11期863-864,共2页
(CH_3C_5H_4)Zr(S_2CNBz_2)_3, Mr=987.55, space group P1, a=13.002(4), b=13.659(3), c=29.685(8); α=100.72(2)~o,β=97.23(2)~o, γ=105.36(2)~o; V=4909(2)~3, Z=4, Dc=1.34gcm^(-3), Mo-K(λ=0.71073A) radiation, μ=5.0cm^(-1... (CH_3C_5H_4)Zr(S_2CNBz_2)_3, Mr=987.55, space group P1, a=13.002(4), b=13.659(3), c=29.685(8); α=100.72(2)~o,β=97.23(2)~o, γ=105.36(2)~o; V=4909(2)~3, Z=4, Dc=1.34gcm^(-3), Mo-K(λ=0.71073A) radiation, μ=5.0cm^(-1), R=0.069, Rw=0.078 for 6100 reflections. The title complex has pentagonal bipyramid configuration in which the zirconium atom is coordinated by one CH_3C_5H_4 group and three bidentate dibenzyldithiocarbamate ligands. 展开更多
关键词 CH3C5H4 CRYSTAL STRUCTURE OF seven-coordinate ZIRCONOCENE COMPLEX S2CNBz2 Bz=CH2C6H5 ZR Bz
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CRYSTAL STRUCTURE OF SEVEN-COORDINATE TRIPODAL MANGANESE(Ⅱ) COMPLEX
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作者 Shao Hua GOU Zheng XU and Xiao Zeng YOU Coordination Chemistry Institute, Hanjing Univeraity, Nanjing 210008 Kai Bei YU Chengdu Center of Analysis and Determinmtion, Academia Sinioa, Chengdu 610015 《Chinese Chemical Letters》 SCIE CAS CSCD 1991年第10期801-802,共2页
MnC_(24)H_(27)F_(12)N_7O_3P_2·C_2H_5OH, Mr-852, orthogonal, space group P21 3, a=15.220(2);Z=4; V=3525(1)~3; F(000)=1732; Dc=1.61g/cm^3; μ=5.52cm^(-1)(Mo Kα=0.71073). Manganese (Ⅱ) atom is seven-coordinated, w... MnC_(24)H_(27)F_(12)N_7O_3P_2·C_2H_5OH, Mr-852, orthogonal, space group P21 3, a=15.220(2);Z=4; V=3525(1)~3; F(000)=1732; Dc=1.61g/cm^3; μ=5.52cm^(-1)(Mo Kα=0.71073). Manganese (Ⅱ) atom is seven-coordinated, with the coordination polyhedron of a monocapped antitrigonal prism. 展开更多
关键词 COMPLEX CRYSTAL STRUCTURE OF seven-coordinate TRIPODAL MANGANESE
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Isolation and Identification of Pseudo Seven-Coordinate Ru(Ⅲ)Intermediate Completing the Catalytic Cycle of Ru-bda Type of Water Oxidation Catalysts 被引量:2
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作者 Tianqi Liu Ge Li +8 位作者 Nannan Shen Linqin Wang Brian J.J.Timmer Shengyang Zhou Biaobiao Zhang Alexander Kravchenko Bo Xu Marten S.G.Ahlquist Licheng Sun 《CCS Chemistry》 CAS 2022年第7期2481-2490,共10页
Isolation of RuⅢ-bda(17-electron specie)complex with an aqua ligand(2-electron donor)is challenging due to violation of the 18-electron rule.Although considerable efforts have been dedicated to mechanistic studies of... Isolation of RuⅢ-bda(17-electron specie)complex with an aqua ligand(2-electron donor)is challenging due to violation of the 18-electron rule.Although considerable efforts have been dedicated to mechanistic studies of water oxidation by the Ru-bda family,the structure and initial formation of the Ru^(Ⅲ)-bda aqua complex are still controversial.Herein,we challenge this often overlooked step by designing a pocketshape Ru-based complex 1.The computational studies showed that 1 possesses the crucial hydrophobicity at the Ru^(V)(O)state as well as similar probability of access of terminal O to solvent water molecules when compared with classic Ru-bda catalysts.Through characterization of single-crystal structures at the Ru^(Ⅱ) and Ru^(Ⅲ) states,a pseudo seven-coordinate“ready-togo”aqua ligand with Ru^(Ⅲ)…O distance of 3.62A was observed.This aqua ligand was also found to be part of a formed hydrogen-bonding network,providing a good indication of how the Ru^(Ⅲ)-OH_(2)complex is formed. 展开更多
关键词 Ru-bda water oxidation pseudo seven-coordinate Ru^(Ⅲ)-OH_(2)intermediate water preorganization
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