We have studied the structure and energetics of halide anion-water clusters X-(H,O),, X&I, Br, I, and n= l-6 by ab initio molecular orbital calculations at the MP2 level. Information on energy-structure relationships emerged from the calculated ionization potentials, which are in good agreement with
Studies of gas-phase clusters: the solvation of HNO3 in microscopic aqueous clusters
β Scribed by Bruce D. Kay; V. Hermann; A.W. Castleman Jr.
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 590 KB
- Volume
- 80
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
The formation and stability of aqueous clusters of nitric acid were studied utilizing a free-jet expansion techmque, coupled with electron impact ionization mass spectrometry. Evidence for the onset of salvation at very small cluster srzes is presented.
π SIMILAR VOLUMES
Leuven (Belgium) [\*\*] The authors thank the Fonds der Chemischen Industrie and the Deutsche Forschungsgemeinschaft (SFB 546) for financial support, the Stichting voor Fundamenteel Onderzoek der Materie (FOM) for beamtime on FELIX, and the technical staff of FELIX for their assistance with the exp