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

Synthesis, Crystal Structure and Luminescence Property of [Ag_2(dppm)_2(NMP)_2](SbF_6)_2·4H_2O·3CH_2Cl_2
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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.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 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).
关键词 silver-dppm LUMINESCENCE DFT molecular obital CHARGE-TRANSFER silver-dppm, luminescence, DFT, molecular obital, charge-transfer
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