The Electronic Structure of Heavy Element Complexes

Bursten, Bruce E.

Chemistry Department, The Ohio State University Research Foundation, Columbus, OH (United States)

关键词: Electronic Structure;    Actinides;    37 Inorganic, Organic, Physical And Analytical Chemistry;    Atoms;    Transuranium Complexes;   

DOI  :  10.2172/807700
RP-ID  :  NONE
RP-ID  :  FG02-86ER13529
RP-ID  :  807700

美国|英语

来源: UNT Digital Library

【 摘 要 】

The area of study is the bonding in heavy element complexes, and the application of more sophisticated electronic structure theories. Progress is recounted in several areas: (a) technological advances and current methodologies - Relativistic effects are extremely important in gaining an understanding of the electronic structure of compounds of the actinides, transactinides, and other heavy elements. Therefore, a major part of the continual benchmarking was the proper inclusion of the appropriate relativistic effects for the properties under study. (b) specific applications - These include organoactinide sandwich complexes, CO activation by actinide atoms, and theoretical studies of molecules of the transactinide elements. Finally, specific directions in proposed research are described.