Chemistry Letters
Online ISSN : 1348-0715
Print ISSN : 0366-7022
ISSN-L : 0366-7022
Letter
A Computational Study on Fluxional Behavior of Group 6 and 7 Transition-metal Complexes of Borane–Lewis Base Adducts
Yasuro KawanoTaeko KakizawaKazunori YamaguchiMamoru Shimoi
Author information
JOURNALS RESTRICTED ACCESS

2006 Volume 35 Issue 6 Pages 568-569

Details
Abstract

Fluxional behavior of group 6 and 7 metal borane complexes was investigated with use of density functional theory (DFT). Site exchange of BH hydrogen atoms of the borane ligand BH3·L or B2H4·2PMe3 proceeds via a transition state in which the borane ligand interacts with metal with a bidentate fashion. Calculated values of the activation energy were in good agreement with experimentally observed barriers.

Information related to the author

This article cannot obtain the latest cited-by information.

© 2006 The Chemical Society of Japan
Previous article Next article
feedback
Top