How strong are the complexes between methane radical cation and noble gas atoms?

Citation
I. Alkorta et al., How strong are the complexes between methane radical cation and noble gas atoms?, CHEM P LETT, 311(3-4), 1999, pp. 281-291
Citations number
33
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
311
Issue
3-4
Year of publication
1999
Pages
281 - 291
Database
ISI
SICI code
0009-2614(19990924)311:3-4<281:HSATCB>2.0.ZU;2-A
Abstract
This article studies the interaction the methane radical cation (C-2v) with noble gas atoms (He, Ne, Ar, and Kr). A number of stationary points, betwe en 5 and 7, have been located depending on the interacting noble gas atom. MP2, MP4 and CCSD-T computational levels with the 6-311 + + G(d,p) and 6-31 1 + + G(2d,2p) basis sets have been used. The minima show different charact eristics depending on the interacting hydrogen atom, similar to hydrogen-bo nded or van der Waals complexes. The transition slates obtained indicate an easy transfer between the symmetrical and non-symmetrical complexes. (C) 1 999 Elsevier Science B.V. All rights reserved.