物理化学学报 >> 1995, Vol. 11 >> Issue (06): 481-483.doi: 10.3866/PKU.WHXB19950601

通讯    下一篇

单羰基镧的键合异构现象

洪功义,黎乐民,徐光宪,林宪杰   

  1. 北京大学化学与分子工程学院|稀土材料化学及应用国家重点实验室|北京 100871|山东菏泽师范专科学校化学系|菏泽 274015
  • 收稿日期:1995-02-28 修回日期:1995-03-17 发布日期:1995-06-15
  • 通讯作者: 黎乐民

The Linkage Isomerism of Lanthanum Monocarboxide

Hong Gong-Yi,Li Le-Min,Xu Guang-Xian,Lin Xian-Jie   

  1. College of Chemistry and Molecular Engineering,State Key Laboratory of Rare Earth Materials Chemistry and Applications,Peking University,Beijing 100871|Department of Chemistry,Shandong Heze Normal School,Heze 274015
  • Received:1995-02-28 Revised:1995-03-17 Published:1995-06-15
  • Contact: Li Le-Min

关键词: 稀土羰基化合物, 分子结构, 化学键, 密度泛函理论, 键合异构现象

Abstract:

In this paper, the molecular structure and chemical bonding of lanthanum monocarboxide have been studied with the density functional theory method. It is found that lanthanum monocarboxide can exist in two structures, LaCO and LaOC, that is, there exists linkage isomerism in lanthanum monocarboxide.

Key words: Lanthanum monocarboxide, Molecular structure, Chemical bonding, Density functional theory, Linkage isomerism