✦ LIBER ✦
H2S·HOH or H2O·HSH, which is more stable in the water-hydrogen sulfide complex?
✍ Scribed by Y.-B. Wang; Fu-Ming Tao; Yuh-Kang Pan
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 416 KB
- Volume
- 230
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
High-level ab initio calculations are carried out to study the relative stability of the two hydrogen bonded structures of waterhydrogen sulfide complex, one with water as the proton donor (A) and the other with hydrogen sulfide as the proton donor (B). The results show that structure A is considerably more stable than B at the correlated level, which is in contrast with previous results obtained from Hartree-Fock calculations.