期刊
MOLECULES
卷 26, 期 5, 页码 -出版社
MDPI
DOI: 10.3390/molecules26051305
关键词
bonding analysis; chemical bond; noble-gas chemistry; noble-gas ions; structure and stability
资金
- DIBAF Department of the University of Tuscia through the Italian Ministry of Education, University and Research (MIUR)
The research explored the structure, stability, and bonding character of fifteen (Ng-H-Ng)(+) and (Ng-H-Ng')(+) compounds using theoretical calculations. The variations in bond distances and dissociation energies were nicely correlated with the bonding situations, illustrating the peculiar capability of noble gases to undergo interactions covering the entire spectrum of the chemical bond.
The structure, stability, and bonding character of fifteen (Ng-H-Ng)(+) and (Ng-H-Ng')(+) (Ng, Ng' = He-Xe) compounds were explored by theoretical calculations performed at the coupled cluster level of theory. The nature of the stabilizing interactions was, in particular, assayed using a method recently proposed by the authors to classify the chemical bonds involving the noble-gas atoms. The bond distances and dissociation energies of the investigated ions fall in rather large intervals, and follow regular periodic trends, clearly referable to the difference between the proton affinity (PA) of the various Ng and Ng'. These variations are nicely correlated with the bonding situation of the (Ng-H-Ng)(+) and (Ng-H-Ng')(+). The Ng-H and Ng'-H contacts range, in fact, between strong covalent bonds to weak, non-covalent interactions, and their regular variability clearly illustrates the peculiar capability of the noble gases to undergo interactions covering the entire spectrum of the chemical bond.
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