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Interactions of neutral and cationic transition metals with the redox system of hydroquinone and quione: Theoretical characterization of the binding topologies, and implications for the formation of nanomaterials

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dc.contributor.authorYi, Hai-Bo-
dc.contributor.authorDiefenbach, Martin-
dc.contributor.authorChoi, Young Cheol-
dc.contributor.authorLee, Eun Cheol-
dc.contributor.authorLee, Han Myoung-
dc.contributor.authorHong, Byung Hee-
dc.contributor.authorKim, Kwang S.-
dc.date.accessioned2021-01-31T08:30:19Z-
dc.date.available2021-01-31T08:30:19Z-
dc.date.issued2006-06-
dc.identifier.citationChemistry - A European Journal, Vol.12 No.18, pp.4885-4892-
dc.identifier.issn0947-6539-
dc.identifier.other119055-
dc.identifier.urihttps://hdl.handle.net/10371/172181-
dc.description.abstractTo understand the self-assembly process of the transition metal (TM) nanoclusters and nanowires self-synthesized by hydroquinone (HQ) and calix[4]hydroquinone (CHQ) by electrochemical redox processes, we have investigated the binding sites of HQ for the transition-metal cations TMn+=Ag+, Au+, Pd2+, Pt2+, and Hg2+ and those of quinone (Q) for the reduced neutral metals TM0, using ab initio calculations. For comparison, TM0-HQ and TMn+-Q interactions, as well as the cases for Na+ and Cu+ (which do not take part in self-synthesis by CHQ) are also included. In general, TM-ligand coordination is controlled by symmetry constraints imposed on the respective orbital interactions. Calculations predict that, due to synergetic interactions, silver and gold are very efficient metals for one-dimensional (1D) nanowire formation in the self-assembly process, platinum and mercury favor both nanowire/nanorod and thin film formation, while palladium favors two-dimensional (2D) thin film formation.-
dc.subjectab initio calculations-
dc.subjecthydroquinone-
dc.subjectmetal-cation-pi interactions-
dc.subjectnanowires-
dc.subjecttransition-
dc.subjectmetals-
dc.titleInteractions of neutral and cationic transition metals with the redox system of hydroquinone and quione: Theoretical characterization of the binding topologies, and implications for the formation of nanomaterials-
dc.typeArticle-
dc.contributor.AlternativeAuthor홍병희-
dc.identifier.doi10.1002/chem.200501551-
dc.citation.journaltitleChemistry - A European Journal-
dc.citation.endpage4892-
dc.citation.number18-
dc.citation.startpage4885-
dc.citation.volume12-
dc.identifier.rimsid119055-
dc.identifier.sci000238416200018-
dc.contributor.affiliatedAuthorHong, Byung Hee-
Appears in Collections:
College of Natural Sciences (자연과학대학)Dept. of Chemistry (화학부)Journal Papers (저널논문_화학부)
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