高等学校化学学报

高等学校化学学报 ›› 1991, Vol. 12 ›› Issue (12): 1640.

• 研究论文 • 上一篇    下一篇

含弱金属-金属键体系[M2(η5-C5H5)2(CO)4](M=Fe,Ru)及其相关体系的电子光谱

李志儒, 王海涛, 李前树, 李君, 封继康, 郑植仁   

  1. 吉林大学化学系, 长春, 130023
  • 收稿日期:1990-09-17 出版日期:1991-12-24 发布日期:1991-12-24
  • 通讯作者: 李志儒
  • 基金资助:

    国家自然科学基金

The Electronic Spectra of [M2(η5-C5H5)2(CO)4] with Weak Metal-Metal Bond and M(η5-C5H5)(CO)2Cl(M=Fe,Ru)

Li Zhi-ru, Wang Hai-tao, Li Qian-shu, Li Jun, Feng Ji-kang, Zheng Zhi-ren   

  1. Department of Chemistry, Jilin University, Changchun, 130023
  • Received:1990-09-17 Online:1991-12-24 Published:1991-12-24

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摘要： 用INDO/CI法研究了[M2(η5-C5H5)2(CO)4]及M(η5-C5H5)(CO)2Cl(M=Fe,Ru)体系的电子光谱,讨论了谱带的跃迁机理、电荷转移性质及同一标号谱带的蓝移现象,并对[MCp(CO)2]2体系的异构化反应性及光化学反应的可能机理进行了探讨。

关键词: INDO/CI, [M2(&eta, 5-C5H5)2(CO)4], 电子光谱

Abstract: The Electronic Spectra of CMCP(CO)2]2and MCp(CO)2Cl(M=Fe,Ru) are studied by means of INDO/CI method. The calculated values of wave number and transition intensity of the spectra correspond with the experimental results. The bands are assiged and the nature of their charge trasfer is discussed. The blue shift of the same label band with M-Fe,Ru are explained. In addition, the reactions of isomerization and photochemistry are discussed.

Key words: INDO/CI, [M2(η5-C5H5)2(CO)4], Electronic spectra

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