Please use this identifier to cite or link to this item: http://hdl.handle.net/2067/43694
DC FieldValueLanguage
dc.contributor.authorBorocci, Stefanoit
dc.contributor.authorGrandinetti, Feliceit
dc.contributor.authorSanna, Nicoit
dc.date.accessioned2021-10-26T10:08:46Z-
dc.date.available2021-10-26T10:08:46Z-
dc.date.issued2021it
dc.identifier.issn1420-3049it
dc.identifier.urihttp://hdl.handle.net/2067/43694-
dc.description.abstractThe 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.it
dc.format.mediumSTAMPAit
dc.language.isoengit
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 United States*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/us/*
dc.titleOn the proton-bound noble gas dimers (Ng-H-Ng)+ and (Ng-H-Ng')+ (Ng, Ng'= He-Xe): relationships between structure, stability, and bonding characterit
dc.typearticle*
dc.identifier.doi10.3390/molecules26051305it
dc.identifier.pmid33671081it
dc.identifier.scopus2-s2.0-85102603751it
dc.identifier.urlhttps://api.elsevier.com/content/abstract/scopus_id/85102603751it
dc.relation.journalMOLECULESit
dc.relation.firstpage1305-1it
dc.relation.lastpage1305-16it
dc.relation.numberofpages16it
dc.relation.volume26it
dc.relation.issue5it
dc.description.numberofauthors3it
dc.description.internationalnoit
dc.contributor.countryITAit
dc.type.refereeREF_1it
dc.type.miur262*
item.grantfulltextrestricted-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.languageiso639-1en-
item.fulltextWith Fulltext-
item.openairetypearticle-
item.cerifentitytypePublications-
crisitem.journal.journalissn1420-3049-
crisitem.journal.anceE184319-
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