STRUCTURE AND STABILITY OF THE SIH3O2 RADICAL

Authors
KACHUROVSKAYA NA SHCHEGOLEVA LN PLAKHUTIN BN
Citation
Na. Kachurovskaya et al., STRUCTURE AND STABILITY OF THE SIH3O2 RADICAL, Journal of structural chemistry, 35(1), 1994, pp. 21-26
Citations number
17
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
Journal title
Journal of structural chemistry → ACNP
ISSN journal
00224766
Volume
35
Issue
1
Year of publication
1994
Pages
21 - 26
Database
ISI
SICI code
0022-4766(1994)35:1<21:SASOTS>2.0.ZU;2-Y
Abstract
A quantum chemical ab initio study of the electronic structure and for ce constants of the SiH3O2. radical is reported. The minimum on the po tential surface corresponds to a C(s) symmetry structure (the 2A'' ter m). The Hartree-Fock solution with the minimal energy for this structu re does not satisfy the aufbau principle. The calculated enthalpy of S iH3O2. formation from SiH3. and O2(3SIGMA(g)-) is approximately -30 kc al/mole.