| Literature DB >> 25733034 |
Debdutta Chakraborty1, Pratim Kumar Chattaraj1.
Abstract
The possibility of having neutral Xe-bound compounds mediated by some representative transition metal fluorides of general formula MX3 (where M=Ru, Os, Rh, Ir, Pd, Pt, Ag, Au and X=F) has been investigated through density functional theory based calculations. Nature of interaction between MX3 and Xe moieties has been characterized through detailed electron density, charge density and bond energy decomposition analyses. The feasibility of having compounds of general formula XeMX3 at 298 K has been predicted through thermodynamic considerations. The nature of interaction in between Xe and M atoms is partly covalent in nature and the orbital interaction is the dominant contributor toward these interactions as suggested by energy decomposition analysis.Entities:
Year: 2015 PMID: 25733034 DOI: 10.1021/jp513018v
Source DB: PubMed Journal: J Phys Chem A ISSN: 1089-5639 Impact factor: 2.781