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dc.creatorJanjić, Goran
dc.creatorMilosavljevic, M. D.
dc.creatorVeljković, Dušan
dc.creatorZarić, Snežana D.
dc.date.accessioned2019-12-15T10:45:03Z
dc.date.available2018-03-07
dc.date.issued2017
dc.identifier.issn1463-9076
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/3237
dc.description.abstractIntermolecular OH/M interactions, between a water molecule and square-planar acac complexes ([M(acac)L-2]), with different types of L ligands (en, H2O, CO, CN-, and OH-) and different types of metal atoms (Ir(I), Rh(I), Pt(II), and Pd(II)) were studied by high level ab initio calculations. Among the studied neutral complexes, the [Pd(acac)(CN)(CO)] complex forms the weakest interaction, -0.62 kcal mol(-1), while the [Ir(acac)(en)] complex forms the strongest interaction, -9.83 kcal mol(-1), which is remarkably stronger than the conventional hydrogen bond between two water molecules (-4.84 kcal mol(-1)).en
dc.publisherRoyal Soc Chemistry, Cambridge
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS//
dc.relationQatar Foundation for Education, Science and Community Development
dc.rightsembargoedAccess
dc.sourcePhysical Chemistry Chemical Physics
dc.titlePrediction of strong O-H/M hydrogen bonding between water and square-planar Ir and Rh complexesen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractМилосављевиц, М. Д.; Јањић, Горан; Вељковић, Душан; Зарић, Снежана Д.;
dc.citation.volume19
dc.citation.issue13
dc.citation.spage8657
dc.citation.epage8660
dc.citation.other19(13): 8657-8660
dc.citation.rankM21
dc.description.otherPublished version: [http://cer.ihtm.bg.ac.rs/handle/123456789/2220]
dc.description.otherThis is peer-reviewed version of the article: G. Janjić, M. Milosavljević, D. Ž. Veljković, S. D. Zarić, Physical Chemistry Chemical Physics, 2017, 19, 13, 8657-8660;, DOI: [https://.dx.doi.org/10.1039/C6CP08796E]
dc.identifier.pmid28317955
dc.identifier.doi10.1039/c6cp08796e
dc.identifier.rcubConv_3708
dc.identifier.fulltexthttp://cer.ihtm.bg.ac.rs/bitstream/id/15541/Janjic_acc_10.1039.c6cp08796e.pdf
dc.identifier.scopus2-s2.0-85019364515
dc.identifier.wos000399004700003
dc.type.versionacceptedVersion


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