Theoretical study on the rearrangement reaction of singlet H2N=B : -> HNBH

Authors
Guo, ZC
Citation
Zc. Guo, Theoretical study on the rearrangement reaction of singlet H2N=B : -> HNBH, CHIN J ST C, 20(5), 2001, pp. 396-398
Citations number
3
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
ISSN journal
02545861 → ACNP
Volume
20
Issue
5
Year of publication
2001
Pages
396 - 398
Database
ISI
SICI code
0254-5861(2001)20:5<396:TSOTRR>2.0.ZU;2-N
Abstract
The mechanism of the rearrangement reaction of singlet H2N=B: --> HNBH has been studied by using ab initio method of quantum chemistry. The result sho ws that the transition state of the rearrangement reaction has a three-memb ered ring structure. On the basis of the results of the ab initio calculati on, the thermodynamic and kinetic properties of the rearrangement reaction have been obtained.