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	A quantum chemical study of pi-back-donation bond and Raman intensity of (1)Sigma(+) electronic state of Pt-CO molecule
	Wu, DY ; Wu DY(吴德印) ; Xu, X ; Xu X(徐昕) ; Ren, B ; Ren B(任斌) ; Cao, ZJ ; Cao ZJ(曹志霁) ; Shi, P ; Shi P(施平) ; Tian, ZQ ; Tian ZQ(田中群)
	2000
关键词	Raman scattering cross section platinum carbon monoxide
英文摘要	The Raman spectroscopic properties of Pt-CO molecule have been investigated based on the electronic state (1)Sigma (+) determined by the HF and B3LYP methods. The result shows that the calculated stretching vibrational frequencies of the Pt-C and C-O bonds depend on the method and the basis sets used. It indicates that it is important to adopt an appropriate method to describe pi -donation and pi -back-donation bond. The result of the differential Raman scattering cross section for the stretching vibrations of the Pt-C and C-O bond shows that the latter is significantly larger value compared to the former.
语种	中文
出版者	BEIJING UNIV PRESS
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/12754]
专题	化学化工－已发表论文
推荐引用方式 GB/T 7714	Wu, DY,Wu DY,Xu, X,et al. A quantum chemical study of pi-back-donation bond and Raman intensity of (1)Sigma(+) electronic state of Pt-CO molecule[J],2000.
APA	Wu, DY.,吴德印.,Xu, X.,徐昕.,Ren, B.,...&田中群.(2000).A quantum chemical study of pi-back-donation bond and Raman intensity of (1)Sigma(+) electronic state of Pt-CO molecule..
MLA	Wu, DY,et al."A quantum chemical study of pi-back-donation bond and Raman intensity of (1)Sigma(+) electronic state of Pt-CO molecule".(2000).

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