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dc.creatorKovacs, A
dc.creatorNemcsok, D
dc.creatorPokol, G
dc.creatorSzecsenyi, KM
dc.creatorLeovac, VM
dc.creatorJacimovic, ZK
dc.creatorRadosavjević Evans, Ivana
dc.creatorHoward, JAK
dc.creatorTomić, Zoran D.
dc.creatorGiester, G
dc.date.accessioned2018-03-01T19:38:38Z
dc.date.available2018-03-01T19:38:38Z
dc.date.issued2005
dc.identifier.issn1144-0546 (print)
dc.identifier.urihttp://vinar.vin.bg.ac.rs/handle/123456789/2895
dc.description.abstractIn the present paper we report the synthesis as well as the structural and vibrational characterisation of the HgL2Cl2 complex ( L = 3,5-dimethyl-1-thiocarboxamide). The crystal and molecular structures of both L and the HgL2Cl2 complex were determined by single-crystal X-ray diffraction. The coordination propensity of L to HgCl2 was explored by quantum chemical calculations. We found the preference of the monodentate coordination of L to HgCl2 through the sulfur atom ( instead of the pyridine nitrogen) to be in agreement with Pearsons acid - base character of the atoms involved and the steric effects. The vibrational properties of HgL2Cl2 were evaluated by a joint FT-IR and quantum chemical analysis. In addition, the thermal decomposition of the complex and ligand is reported.en
dc.rightsrestrictedAccessen
dc.sourceNew Journal of Chemistryen
dc.titleStructural, spectroscopic and computational studies of the HgL2Cl2 complex (L=3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of Len
dc.typearticleen
dcterms.abstractКовацс, A; Немцсок, Д; Покол, Г; Леовац, ВМ; Јацимовиц, ЗК; Хоwард, ЈAК; Гиестер, Г; Сзецсенyи, КМ; Еванс, ИР; Томић Зоран;
dc.citation.volume29
dc.citation.issue6
dc.citation.spage833
dc.citation.epage840
dc.identifier.wos000229440700016
dc.identifier.doi10.1039/b416816j
dc.citation.rankM21
dc.identifier.scopus2-s2.0-21344463124


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