The facile decomposition of chlorine nitrate in small water clusters

Authors
McNamara, JP Tresadern, G Hillier, IH
Citation
Jp. Mcnamara et al., The facile decomposition of chlorine nitrate in small water clusters, CHEM P LETT, 310(3-4), 1999, pp. 265-270
Citations number
15
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
310
Issue
3-4
Year of publication
1999
Pages
265 - 270
Database
ISI
SICI code
0009-2614(19990903)310:3-4<265:TFDOCN>2.0.ZU;2-N
Abstract
High-level electronic structure calculations show that chlorine nitrate is readily hydrolysed in a cluster of six water molecules to yield HOCl/NO3-/H 3O+, and readily reacts with HCL in a cluster of two water molecules to yie ld Cl2/HNo3. (C) 1999 Elsevier Science B.V. All rights reserved.