Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 119, Issue 12, Pages 3064-3074Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp513018v
Keywords
-
Funding
- CSIR, New Delhi
- DST, New Delhi
Ask authors/readers for more resources
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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available