Distinctive and regular features of the IR spectra of transition metal tris(acetylacetonates)
- 12 July 2008
- journal article
- Published by Pleiades Publishing Ltd in Russian Journal of Coordination Chemistry
- Vol. 34 (7) , 551-553
- https://doi.org/10.1134/s1070328408070130
Abstract
The frequencies for the IR spectra of M(Acac)3 (M = Sc, Ti, V, Cr, Fe, Mn, and Co) were qualitatively calculated by the Hartree-Fock-Roothaan method with the MIDI basis set including p and d polarization functions. It was demonstrated that the coordination entity of the manganese complex is deformed more strongly than that of the vanadium complex. A correlation diagram for the IR bands in the 200–1600 cm−1 range is presented for the complexes in the condensed state. A correlation was found between the experimental frequency of the M-O vibrations and the corresponding force constants.Keywords
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