Synthesis, Crystal Structure and Luminescence Property of [Ag_2(dppm)_2(NMP)_2](SbF_6)_2·4H_2O·3CH_2Cl_2  

作　　者：WEI Yong-Qin WU Ke-Chen ZHUANG Bo-Tao ZHOU Zhang-Feng 

机构地区：[1]State Key Laboratory of Structural Chemistry, Fujian Instituteof Research on the Structure of Matter,The Chinese Academy of Sciences, Fuzhou, Fujian 350002, China

出　　处：《Chinese Journal of Structural Chemistry》2005年第12期1363-1368,共6页结构化学（英文）

基　　金：This work was support by National Basic Research Program of China (No: 2004CB720605) and the Natural Science Foundation of China (No. 20173064 and 90203017).

摘　　要：The silver-dppm complex, [Ag2（dppm）2（NMP）2]（SbF6）2-4H2O-3CH2Cl2 1 （NMP = 2- （4-dimethylaminophenyl）imidazo（4,5-f）（1,10）phenanthroline, dppm = diphenylphosphinomethane）, was synthesized and its structure was determined by X-ray diffraction. The crystal belongs to monoclinic, space group C2/c, Mr = 2461.61, a = 21.57（10）, b = 22.48（6）, c = 22.53（6）A, β= 101.29（2）°, V= 10713（64）A^3, Z= 4, Dc= 1.526 g/cm^3,μ= 1.141mm^-1, F（000） = 4920, R =0.0664 and wR = 0.1774 for 8524 observed reflections （1 〉 2σ（I））. Complex 1 exists as a centrosymmetric dimmer. The two dppm molecules bridge two AgNMP moieties to form an eight-membered Ag2P4C2 metallacyclic ring with ligand NMP chelating to each Ag. It appears photoluminescence （λmax = 625 nm） at room temperature and makes red shift compared with free ligand NMP （λmax = 522 nm）. DFF calculation indicates that the emission of 1 originates from singlet metal-perturbed ILCT excited state.The silver-dppm complex, [Ag2（dppm）2（NMP）2]（SbF6）2-4H2O-3CH2Cl2 1 （NMP = 2- （4-dimethylaminophenyl）imidazo（4,5-f）（1,10）phenanthroline, dppm = diphenylphosphinomethane）, was synthesized and its structure was determined by X-ray diffraction. The crystal belongs to monoclinic, space group C2/c, Mr = 2461.61, a = 21.57（10）, b = 22.48（6）, c = 22.53（6）A, β= 101.29（2）°, V= 10713（64）A^3, Z= 4, Dc= 1.526 g/cm^3,μ= 1.141mm^-1, F（000） = 4920, R =0.0664 and wR = 0.1774 for 8524 observed reflections （1 〉 2σ（I））. Complex 1 exists as a centrosymmetric dimmer. The two dppm molecules bridge two AgNMP moieties to form an eight-membered Ag2P4C2 metallacyclic ring with ligand NMP chelating to each Ag. It appears photoluminescence （λmax = 625 nm） at room temperature and makes red shift compared with free ligand NMP （λmax = 522 nm）. DFF calculation indicates that the emission of 1 originates from singlet metal-perturbed ILCT excited state.

关 键 词：silver-dppm LUMINESCENCE DFT molecular obital CHARGE-TRANSFER 

分 类 号：O614.122[理学—无机化学]