6533b853fe1ef96bd12aca91
RESEARCH PRODUCT
A study on stabilization of HHeF molecule upon complexation with Xe atoms
Antti LignellMarkku RäsänenMika PetterssonLeonid Khriachtchevsubject
010405 organic chemistryChemistryChemical physicsGeneral Physics and AstronomyMoleculePhysical and Theoretical ChemistryAtomic physics010402 general chemistry01 natural sciencesDissociation (chemistry)0104 chemical sciencesdescription
In the present work, we computationally study energetic stabilization of HHeF by its complexation with Xe atoms. For the studied HHeF ��� Xen systems ðn ¼ 1–4; 6Þ, we found a large complexation-induced decrease of energy of HHeF with respect to its dissociation into atoms. As a working hypothesis, we assume that this stabilization effect continues for the larger systems (n > 6) as well. This suggests that dissociation of HHeF via the H–He stretching coordinate might be suppressed and its lifetime might be increased by inserting it into large Xe clusters or matrices. 2004 Elsevier B.V. All rights reserved.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2004-05-01 | Chemical Physics Letters |