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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, D. ; Xu, X. ; Ren, B. ; Cao, Z. ; Shi, P. ; Tian, Z. ; Ren B(任斌)
	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	英语
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/61147]
专题	化学化工－已发表论文
推荐引用方式 GB/T 7714	Wu, D.,Xu, X.,Ren, B.,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, D..,Xu, X..,Ren, B..,Cao, Z..,Shi, P..,...&任斌.(2000).A quantum chemical study of pi-back-donation bond and Raman intensity of 1 sigma + electronic state of Pt-CO molecule..
MLA	Wu, D.,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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