On the Proton-Bound Noble Gas Dimers (Ng-H-Ng)+ and (Ng-H-Ng')+ (Ng, Ng'= He-Xe): Relationships betweenStructure, Stability, and Bonding Character
| Autor: | Felice Grandinetti, Nico Sanna, Stefano Borocci |
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| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Proton
Pharmaceutical Science noble-gas chemistry 010402 general chemistry 01 natural sciences Dissociation (chemistry) Analytical Chemistry Ion lcsh:QD241-441 bonding analysis lcsh:Organic chemistry 0103 physical sciences Drug Discovery Physical and Theoretical Chemistry chemical bond 010303 astronomy & astrophysics Chemistry Organic Chemistry Noble gas 0104 chemical sciences Coupled cluster Chemical bond Chemistry (miscellaneous) Covalent bond Molecular Medicine Physical chemistry Proton affinity structure and stability noble-gas ions |
| Zdroj: | Molecules Volume 26 Issue 5 Molecules (Basel, Online) 26 (2021): 1–16. doi:10.3390/molecules26051305 info:cnr-pdr/source/autori:Borocci S.; Grandinetti F.; Sanna N./titolo:On the proton-bound noble gas dimers (Ng-H-Ng)+ and (Ng-H-Ng')+ (Ng, Ng' = He-Xe): Relationships between structure, stability, and bonding character/doi:10.3390%2Fmolecules26051305/rivista:Molecules (Basel, Online)/anno:2021/pagina_da:1/pagina_a:16/intervallo_pagine:1–16/volume:26 Molecules, Vol 26, Iss 1305, p 1305 (2021) |
| ISSN: | 1420-3049 |
| DOI: | 10.3390/molecules26051305 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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