The crystal and molecular structure of (Pd(tfac)(tfac-O){P(o-tolyl)3}) containing an O-unidentate 1,1,1-trifluoro-2,4-pentanedionate anion as a ligand.
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概要
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The title complex crystallizes in the monoclinic space group C2/c with <I>a</I>=24.900(6) Å, <I>b</I>=8.272(2) Å, <I>c</I>=30.437(9) Å, and β=97.23(2)°. The structure analysis, which converged at <I>R</I>=0.061 and <I>R</I><SUB>w</SUB>=0.083 with 3017 reflections for which <I>F</I><SUB>o</SUB><SUP>2</SUP>>3σ(<I>F</I><SUB>o</SUB><SUP>2</SUP>), showed that the palladium has a complete square-planar coordination geometry. While one of the tfac ligands is chelating, the other is bound to the metal only through the carbonyl oxygen adjacent to CH<SUB>3</SUB>. The <I>O</I>-unidentate tfac ligand lies trans to the CF<SUB>3</SUB>CO moiety of chelating tfac and has a planar structure in which the dangling CF<SUB>3</SUB>CO group is situated trans to the bonding oxygen atom with respect to the C=C bond. The <I>ab initio</I> MO calculation for the <I>Z</I>,<I>Z</I>-form of the tfac anion indicated that the coordination ability of the acetyl oxygen is higher than that of the trifluoroacetyl oxygen in consistence with the observed structure.
- 公益社団法人 日本化学会の論文
著者
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Okeya Seichi
Faculty Of Education Wakayama University
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Nakamura Yukio
Faculty Of Science Osaka City University
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Kawaguchi Shinichi
Faculty of Science Osaka City University
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Nishimoto Kichisuke
Faculty of Science, Osaka City Universiry
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Matsushita Toshio
Faculty of Science, Osaka City Universiry
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Nakamura Yukio
Faculty of Science, Osaka City Universiry
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Kawaguchi Shinichi
Faculty of Science, Osaka City Universiry
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