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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
DC Field | Value | Language |
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dc.contributor.author | Yi, Hai-Bo | - |
dc.contributor.author | Diefenbach, Martin | - |
dc.contributor.author | Choi, Young Cheol | - |
dc.contributor.author | Lee, Eun Cheol | - |
dc.contributor.author | Lee, Han Myoung | - |
dc.contributor.author | Hong, Byung Hee | - |
dc.contributor.author | Kim, Kwang S. | - |
dc.date.accessioned | 2021-01-31T08:30:19Z | - |
dc.date.available | 2021-01-31T08:30:19Z | - |
dc.date.created | 2020-12-14 | - |
dc.date.issued | 2006-06 | - |
dc.identifier.citation | Chemistry - A European Journal, Vol.12 No.18, pp.4885-4892 | - |
dc.identifier.issn | 0947-6539 | - |
dc.identifier.other | 119055 | - |
dc.identifier.uri | https://hdl.handle.net/10371/172181 | - |
dc.description.abstract | To 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.language | 영어 | - |
dc.publisher | John Wiley & Sons Ltd. | - |
dc.title | 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 | - |
dc.type | Article | - |
dc.contributor.AlternativeAuthor | 홍병희 | - |
dc.identifier.doi | 10.1002/chem.200501551 | - |
dc.citation.journaltitle | Chemistry - A European Journal | - |
dc.identifier.wosid | 000238416200018 | - |
dc.citation.endpage | 4892 | - |
dc.citation.number | 18 | - |
dc.citation.startpage | 4885 | - |
dc.citation.volume | 12 | - |
dc.identifier.sci | 000238416200018 | - |
dc.description.isOpenAccess | N | - |
dc.contributor.affiliatedAuthor | Hong, Byung Hee | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.subject.keywordPlus | AB-INITIO PSEUDOPOTENTIALS | - |
dc.subject.keywordPlus | PI INTERACTIONS | - |
dc.subject.keywordPlus | BASIS-SETS | - |
dc.subject.keywordPlus | BOND | - |
dc.subject.keywordPlus | COMPLEXES | - |
dc.subject.keywordPlus | BENZENE | - |
dc.subject.keywordPlus | SELECTIVITY | - |
dc.subject.keywordPlus | REDUCTION | - |
dc.subject.keywordPlus | CHEMISTRY | - |
dc.subject.keywordPlus | MECHANISM | - |
dc.subject.keywordAuthor | ab initio calculations | - |
dc.subject.keywordAuthor | hydroquinone | - |
dc.subject.keywordAuthor | metal-cation-pi interactions | - |
dc.subject.keywordAuthor | nanowires | - |
dc.subject.keywordAuthor | transition | - |
dc.subject.keywordAuthor | metals | - |
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