H2S-CENTER-DOT-CENTER-DOT-CENTER-DOT-HOH OR H2O-CENTER-DOT-CENTER-DOT-CENTER-DOT-HSH, WHICH IS MORE STABLE IN THE WATER-HYDROGEN SULFIDE COMPLEX

Authors
WANG YB TAO FM PAN YK
Citation
Yb. Wang et al., H2S-CENTER-DOT-CENTER-DOT-CENTER-DOT-HOH OR H2O-CENTER-DOT-CENTER-DOT-CENTER-DOT-HSH, WHICH IS MORE STABLE IN THE WATER-HYDROGEN SULFIDE COMPLEX, Chemical physics letters, 230(6), 1994, pp. 480-484
Citations number
24
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
230
Issue
6
Year of publication
1994
Pages
480 - 484
Database
ISI
SICI code
0009-2614(1994)230:6<480:HOH>2.0.ZU;2-D
Abstract
High-level ab initio calculations are carried out to study the relativ e stability of the two hydrogen bonded structures of water-hydrogen su lfide complex, one with water as the proton donor (A) and the other wi th hydrogen sulfide as the proton donor (B). The results show that str ucture A is considerably more stable than B at the correlated level, w hich is in contrast with previous results obtained from Hartree-Fock c alculations.