Distinctive and regular features of the IR spectra of transition metal tris(acetylacetonates)

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 deforme...

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Bibliographic Details
Published in:	Russian journal of coordination chemistry Vol. 34; no. 7; pp. 551 - 553
Main Authors:	Slabzhennikov, S. N., Ryabchenko, O. B., Kuarton, L. A.
Format:	Journal Article
Language:	English
Published:	Dordrecht SP MAIK Nauka/Interperiodica 01-07-2008
Subjects:	Chemistry Chemistry and Materials Science Inorganic Chemistry Physical Chemistry Force Constant Acetylacetonates Acac Polarization Function Absorption Band
Online Access:	Get full text
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Summary:	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.
ISSN:	1070-3284 1608-3318
DOI:	10.1134/S1070328408070130