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dc.contributor.authorWU De-yin
dc.contributor.author吴德印
dc.contributor.authorZHENG Jian-zhou
dc.contributor.authorREN Bin
dc.contributor.author任斌
dc.contributor.authorXU Xin
dc.contributor.author徐昕
dc.contributor.authorTIAN Zhong-qun
dc.contributor.author田中群
dc.date.accessioned2011-11-23T01:36:09Z
dc.date.available2011-11-23T01:36:09Z
dc.date.issued2005
dc.identifier.citationSPECTROSCOPY AND SPECTRAL ANALYSIS,2005,25(3):365-368zh_CN
dc.identifier.issn1000-0593
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/11222
dc.description.abstractThe structures and the spectral properties of the transition metal M-CO complexes have been investigated by performing the calculation of the hybrid density functional theory approach. The calculated results show that for each M-CO complex the infrared intensity of the C-O stretching mode is significantly larger than that of the M-C stretching mode and the bending modes. The Raman scattering factor of the C-O stretching mode is the largest among three modes. Comparison of the calculated results indicates that the C-O modes of M-CO complexes, the metal atom of which belongs to the fourth periodic metals and the Cu group, have larger Raman scattering factors than those in the other M-CO complexes.zh_CN
dc.language.isozhzh_CN
dc.publisherBEIJING UNIV PRESSzh_CN
dc.subjecttransition metalszh_CN
dc.subjectcarbon monoxidezh_CN
dc.subjectinfrared intensityzh_CN
dc.subjectRaman intensityzh_CN
dc.titleA theoretical study of the influence of interaction between transition metal atoms and carbon monoxide on infrared and Raman intensities of the C-O stretching vibration.zh_CN
dc.typeArticlezh_CN


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