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dc.creatorJanjić, Goran
dc.creatorMilčić, Miloš
dc.creatorZarić, Snežana D.
dc.date.accessioned2019-01-30T17:21:25Z
dc.date.available2019-01-30T17:21:25Z
dc.date.issued2009
dc.identifier.issn0366-6352
dc.identifier.urihttps://cer.ihtm.bg.ac.rs/handle/123456789/590
dc.description.abstractIntramolecular metal-ligand OH/π (MLOH/π) and metal-ligand NH/π (MLNH/π) interactions in transition metal complexes between aqua or ammine ligand and ligand containing a C6-aromatic ring were investigated in crystal structures deposited in the Cambridge Structural Database (CSD). These intramolecular interactions appear in 38 structures with aqua ligand as the hydrogen atom donor and in 10 structures with ammine ligand as the hydrogen atom donor. Among all these complexes only one is negatively charged, 14 are positively charged and 33 are neutral indicating that the overall charge of the molecule has an influence on the XH/π (X = O or N) interactions. Energy estimated by DFT calculations is approximately 19 kJ mol-1 for the MLOH/π interactions and approximately 15 kJ mol-1 for the MLNH/π interactions.en
dc.publisherVersita, Warsaw
dc.relationinfo:eu-repo/grantAgreement/MESTD/MPN2006-2010/142037/RS//
dc.rightsrestrictedAccess
dc.sourceChemical Papers
dc.subjectAmmine complexesen
dc.subjectAqua complexesen
dc.subjectNH/p interactionsen
dc.subjectNoncovalent interactionsen
dc.subjectOH/p interactionsen
dc.subjectTransition metal complexesen
dc.titleIntramolecular MLOH/π and MLNH/π interactions in crystal structures of metal complexesen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractМилчић, М.К.; Зарић, Снежана Д.; Јањић, Горан;
dc.citation.volume63
dc.citation.issue3
dc.citation.spage298
dc.citation.epage305
dc.citation.other63(3): 298-305
dc.citation.rankM23
dc.identifier.doi10.2478/s11696-009-0020-z
dc.identifier.scopus2-s2.0-63049129233
dc.identifier.wos000264546800007
dc.type.versionpublishedVersion


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