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Syntheses, characterizations and theoretical calculations of rhodium(III) 1,2-naphthoquinone-1-oxime complexes |
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| Authors: | Yi-Nan Liu Xiao-Guang Sang Lap Sze-to Xiao-Xia Liu |
| Institution: | a Department of Chemistry, Northeastern University, Shenyang 110004, China b Hefei National Laboratory for Physical Science at Microscale and Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, China c Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, China |
| Abstract: | Rhodium(III) complexes of 1,2-naphthoquinone-1-oxime (1-nqo) Rh(1-nqo)L2Cl2] 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 RhIII to RhI on the cyclic voltammogram. While the low-energy absorptions at λmax 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). |
| Keywords: | Rhodium complex Crystal structure DFT calculation Electronic spectroscopy Electrochemistry |
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