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dc.creatorPolitzer, Peter
dc.creatorMurray, Jane S.
dc.creatorJanjić, Goran V.
dc.creatorZarić, Snežana
dc.date.accessioned2018-11-22T00:27:35Z
dc.date.available2018-11-22T00:27:35Z
dc.date.issued2014
dc.identifier.issn2073-4352
dc.identifier.urihttp://cherry.chem.bg.ac.rs/handle/123456789/1685
dc.description.abstractCovalently-bonded atoms of Groups IV-VII tend to have anisotropic charge distributions, the electronic densities being less on the extensions of the bonds (sigma-holes) than in the intervening regions. These sigma-holes often give rise to positive electrostatic potentials through which the atom can interact attractively and highly directionally with negative sites (e.g., lone pairs, pi electrons and anions), forming noncovalent complexes. For Group VII this is called. halogen bonding. and has been widely studied both computationally and experimentally. For Groups IV-VI, it is only since 2007 that positive sigma-holes have been recognized as explaining many noncovalent interactions that have in some instances long been known experimentally. There is considerable experimental evidence for such interactions involving groups IV and VI, particularly in the form of surveys of crystal structures. However we have found less extensive evidence for Group V. Accordingly we have now conducted a survey of the Cambridge Structural Database for crystalline close contacts of trivalent nitrogen, phosphorus and arsenic with six different types of electronegative atoms in neighboring molecules. We have found numerous close contacts that fit the criteria for sigma-hole interactions. Some of these are discussed in detail; in two instances, computed molecular electrostatic potentials are presented.en
dc.publisherMdpi, Basel
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS//
dc.rightsopenAccess
dc.sourceCRYSTALS
dc.subjectsigma-hole interactionsen
dc.subjecttrivalent nitrogenen
dc.subjectphosphorus and arsenicen
dc.subjectsurvey of crystal structuresen
dc.subjectelectrostatic potentialsen
dc.titlesigma-Hole Interactions of Covalently-Bonded Nitrogen, Phosphorus and Arsenic: A Survey of Crystal Structuresen
dc.typearticle
dc.rights.licenseBY
dcterms.abstractЈањиц, Горан В.; Политзер, Петер; Мурраy, Јане С.; Зарић, Снежана;
dc.citation.volume4
dc.citation.issue1
dc.citation.spage12
dc.citation.epage31
dc.identifier.wos000351877100002
dc.identifier.doi10.3390/cryst4010012
dc.citation.other4(1): 12-31
dc.type.versionpublishedVersion
dc.identifier.scopus2-s2.0-84901335914
dc.identifier.fulltexthttp://cherry.chem.bg.ac.rs/bitstream/id/8766/1683.pdf
dc.identifier.rcubKon_2831


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