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Article: Syntheses, characterizations and theoretical calculations of rhodium(III) 1,2-naphthoquinone-1-oxime complexes
Title | Syntheses, characterizations and theoretical calculations of rhodium(III) 1,2-naphthoquinone-1-oxime complexes |
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Authors | |
Keywords | Crystal Structure Dft Calculation Electrochemistry Electronic Spectroscopy Rhodium Complex |
Issue Date | 2010 |
Publisher | Elsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/ica |
Citation | Inorganica Chimica Acta, 2010, v. 363 n. 5, p. 949-956 How to Cite? |
Abstract | Rhodium(III) complexes of 1,2-naphthoquinone-1-oxime (1-nqo) [Rh(1-nqo)L 2Cl 2] 1-3 [1, L = 4-methylpyridine (mpy); 2, L = 4-phenylpyridine (ppy); 3, L = 4-acetylpyridine (apy)] were prepared. The structure of complex 1 is analyzed by single crystal X-ray crystallography. All of the complexes were characterized by mass spectrometry, 1H- 1H COSY NMR and FT-IR. UV-Vis absorption spectroscopy and cyclic voltammetry were employed to investigate the electronic transition behaviors of the complexes. The complexes displayed irreversible metal-localized two-electron reductions from Rh III to Rh I on the cyclic voltammogram. While the low-energy absorptions at λ max of 488-490 nm on the UV-Vis spectra of the complexes were related to metal to 1-nqo ligand charge transfer [MLCT, dπ(Rh) → π*(1-nqo)] and chloride to 1-nqo ligand charge transfer [LLCT, pπ(Cl) → π*(1-nqo)] based on the theoretical calculations using time-dependent density functional theory (TD-DFT). © 2009 Elsevier B.V. |
Persistent Identifier | http://hdl.handle.net/10722/168436 |
ISSN | 2023 Impact Factor: 2.7 2023 SCImago Journal Rankings: 0.386 |
ISI Accession Number ID | |
References |
DC Field | Value | Language |
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dc.contributor.author | Liu, YN | en_US |
dc.contributor.author | Liang, WZ | en_US |
dc.contributor.author | Sang, XG | en_US |
dc.contributor.author | Huo, YQ | en_US |
dc.contributor.author | SzeTo, L | en_US |
dc.contributor.author | Yung, KF | en_US |
dc.contributor.author | Liu, XX | en_US |
dc.date.accessioned | 2012-10-08T03:18:55Z | - |
dc.date.available | 2012-10-08T03:18:55Z | - |
dc.date.issued | 2010 | en_US |
dc.identifier.citation | Inorganica Chimica Acta, 2010, v. 363 n. 5, p. 949-956 | en_US |
dc.identifier.issn | 0020-1693 | en_US |
dc.identifier.uri | http://hdl.handle.net/10722/168436 | - |
dc.description.abstract | Rhodium(III) complexes of 1,2-naphthoquinone-1-oxime (1-nqo) [Rh(1-nqo)L 2Cl 2] 1-3 [1, L = 4-methylpyridine (mpy); 2, L = 4-phenylpyridine (ppy); 3, L = 4-acetylpyridine (apy)] were prepared. The structure of complex 1 is analyzed by single crystal X-ray crystallography. All of the complexes were characterized by mass spectrometry, 1H- 1H COSY NMR and FT-IR. UV-Vis absorption spectroscopy and cyclic voltammetry were employed to investigate the electronic transition behaviors of the complexes. The complexes displayed irreversible metal-localized two-electron reductions from Rh III to Rh I on the cyclic voltammogram. While the low-energy absorptions at λ max of 488-490 nm on the UV-Vis spectra of the complexes were related to metal to 1-nqo ligand charge transfer [MLCT, dπ(Rh) → π*(1-nqo)] and chloride to 1-nqo ligand charge transfer [LLCT, pπ(Cl) → π*(1-nqo)] based on the theoretical calculations using time-dependent density functional theory (TD-DFT). © 2009 Elsevier B.V. | en_US |
dc.language | eng | en_US |
dc.publisher | Elsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/ica | en_US |
dc.relation.ispartof | Inorganica Chimica Acta | en_US |
dc.subject | Crystal Structure | en_US |
dc.subject | Dft Calculation | en_US |
dc.subject | Electrochemistry | en_US |
dc.subject | Electronic Spectroscopy | en_US |
dc.subject | Rhodium Complex | en_US |
dc.title | Syntheses, characterizations and theoretical calculations of rhodium(III) 1,2-naphthoquinone-1-oxime complexes | en_US |
dc.type | Article | en_US |
dc.identifier.email | Yung, KF:kfyung@hkucc.hku.hk | en_US |
dc.identifier.authority | Yung, KF=rp00837 | en_US |
dc.description.nature | link_to_subscribed_fulltext | en_US |
dc.identifier.doi | 10.1016/j.ica.2009.12.033 | en_US |
dc.identifier.scopus | eid_2-s2.0-77249166482 | en_US |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-77249166482&selection=ref&src=s&origin=recordpage | en_US |
dc.identifier.volume | 363 | en_US |
dc.identifier.issue | 5 | en_US |
dc.identifier.spage | 949 | en_US |
dc.identifier.epage | 956 | en_US |
dc.identifier.isi | WOS:000275233500017 | - |
dc.publisher.place | Netherlands | en_US |
dc.identifier.scopusauthorid | Liu, YN=26650736800 | en_US |
dc.identifier.scopusauthorid | Liang, WZ=7402026799 | en_US |
dc.identifier.scopusauthorid | Sang, XG=35574809300 | en_US |
dc.identifier.scopusauthorid | Huo, YQ=8323369400 | en_US |
dc.identifier.scopusauthorid | Szeto, L=35276279400 | en_US |
dc.identifier.scopusauthorid | Yung, KF=7006849172 | en_US |
dc.identifier.scopusauthorid | Liu, XX=22958433500 | en_US |
dc.identifier.citeulike | 6479577 | - |
dc.identifier.issnl | 0020-1693 | - |