Explanation of the Anomalous Spectral Behavior of Fluorine Substituted Acetylacetonate Complexes
作者:
H.A. Kuska,
D.H. Beebe,
期刊:
Spectroscopy Letters
(Taylor Available online 1978)
卷期:
Volume 11,
issue 11
页码: 817-822
ISSN:0038-7010
年代: 1978
DOI:10.1080/00387017808065117
出版商: Taylor & Francis Group
关键词: Spectra;lonizations Potentials;Optical CNDOS;INDO;2,4-Pentanedione;1,1,1-Trifluoro-2,4-Pentanedione;1,1,1,3,3,3, -Hexafluoro-2, 4-Pentanedione
数据来源: Taylor
摘要:
In 1970 Lintvedt and Kernitsky1, from a study of the optical spectra of fluorine substituted acetylacetonate complexes, reported that CF3, substitutents on the chelate ring appear to destabilize the occupied energy levels relative to CH3. These results seem to be in direct contradiction with the results of ionization studies2,3,4,5which indicate that CF3substitution stabilizes the occupied energy levels. In an attempt to resolve this dilemma, we have investigated the hydrogen-bonded cis enolone forms of acetylacetone, trifluoroacetylacetone, and hexafluoroacetylacetone with a theoretical molecular orbital method which has been relatively successful for both optical spectra and ionization potentials.
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