Identification of cis/trans isomers of bis(acetylacetonato)nickel(II) complexes in solution based on electronic spectra |
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| Authors: | Md Kudrat-E-Zahan |
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| Institution: | Department of Material and Biological Chemistry, Faculty of Science, Yamagata University, Kojirakawa, Yamagata 990-8560, Japan |
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| Abstract: | Electronic spectra of Ni(acac)2 were studied in acetone, DMF, and some other solvents for the purpose of identifying the cis/trans isomers from the spectra (acac− = acetylacetonate anion). The spectral components were investigated in the spin-allowed transition bands, and a relationship was found between the spectral pattern and the cis/trans isomers. According to this relationship, it was concluded that the cis isomer was formed in DMF and in N-methylformadide, whereas the trans isomer was formed in acetone and in pyridine. Based on the DFT computation, the cis-Ni(acac)2(DMF)2] was found to be stabilized by intramolecular hydrogen bonds between acetylacetonate and DMF. |
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| Keywords: | Bis(acethylacetonato)nickel(II) complex Electronic spectra Cis/trans isomer Angular overlap model (AOM) DFT |
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