链状三核异金属簇阴离子［Cl_2FeS_2M＇（PPh_3）_2］~－（M＝Mo  

Study on Infrared Spectra of Heterotrimetallic Linear Cluster Anions[Cl_2FeS_2MS_2M'(PPh_3)_2]￣-(M=MO,M'=Ag;M=W,M'= Cu,Ag)

作　　者：孔宪玲[1] 陈志达[1] 盛天录[1] 吴新涛[1] 

机构地区：[1]中国科学院福建物质结构研究所

出　　处：《Chinese Journal of Structural Chemistry》1994年第3期200-205,共6页结构化学（英文）

基　　金：国家自然科学基金;福建省自然科学基金

摘　　要：在５５０～９０ｃｍ^（－１）波数范围内，测量簇阴离子［Ｃｌ_２ＦｅＳ_２ＭＳ_２Ｍ′（ＰＰｈ_３）_２］~－（Ｍ＝Ｍｏ，Ｍ′＝Ａｇ；Ｍ＝Ｗ，Ｍ′＝Ｃｕ，Ａｇ）的付里叶变换红外光谱，并对标题簇阴离子［Ｃｌ_２ＦｅＳ_２ＷＳ_２Ｃｕ（ＰＰｈ_３）_２］~－，［Ｃｌ_２ＦｅＳ_２ＭｏＳ_２Ａｇ（ＰＰｈ_３）_２］~－和［Ｃｌ_２ＦｅＳ_２ＷＳ_２Ａｇ（ＰＰｈ_３）_２］~－骨架的振动光谱给予经验指认。同时采用＂诱导自洽方法计算振动力常数＂程序，对簇骨架［Ｃｌ_２ＦｅＳ_２ＭＳ_２Ｍ~′Ｐ_２］进行简正坐标分析。振动频率的计算值与观测值符合良好，两者平均偏差小于１．０％，计算结果支持了振动谱带的归属并表明计算力常数的合理性。文中还讨论了主要价键振动频率的变化规律。The Fourier transform infrared spectra of heterotrimetallic linear cluster anions[Cl2FeS2MS2M'(PPh3)2]-(M=Mo,M'=Ag;M=W,M'=Cu,Ag) are measured within the range 550 to 90 cm-1. Upon comparison with the IR spectra of triphenyl phosphine and the cluster anion [Cl2FeS2MoS2Cu (PPh3)2]- reported in previous paper,vibrational spectra of the title cluster anions are empirically assigned,while normal coordination analyses for cluster skeletons of the title anions are carried out by use of the inducing self-consistency program. It is found that the calculated frequencies are in good agreement with the observed values with a mean deviation of less than 1.0%,thus confirming the empirical assignments of the vibrational spectra.Trends of the vibrational spectra for the cluster anions [Cl2FeS2MS2M'(PPh3)2-(M=Mo,W;M'=Cu,Ag) are briefly discussed.

关 键 词：红外光谱 异金属 簇合物 阴离子 

分 类 号：O641.4[理学—物理化学]