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链状三核异金属簇阴离子[Cl_2FeS_2M'(PPh_3)_2]~-(M=Mo
引用本文:孔宪玲,陈志达,盛天录,吴新涛.链状三核异金属簇阴离子[Cl_2FeS_2M'(PPh_3)_2]~-(M=Mo[J].结构化学,1994(3).
作者姓名:孔宪玲  陈志达  盛天录  吴新涛
作者单位:中国科学院福建物质结构研究所
基金项目: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。

关 键 词:红外光谱,三核异金属原子簇,简正坐标分析,振动力常数

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)
Kong Xian-Ling,Chen Zhi-Da,Sheng Tian-Lu,Wu Xinw-Tao.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)[J].Chinese Journal of Structural Chemistry,1994(3).
Authors:Kong Xian-Ling  Chen Zhi-Da  Sheng Tian-Lu  Wu Xinw-Tao
Abstract:The Fourier transform infrared spectra of heterotrimetallic linear cluster anionsCl2FeS2MS2M'(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.
Keywords:IR spectrum  heterotrimetallic cluster  normal coordination analysis  force constant
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