NMR study of dynamics of carboxyl proton in crystals of acetylenedicarboxylic acid and p-nitrobenzoic acid.
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概要
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Two kinds of motions of proton in dimeric carboxyl group were distinguished by the temperature dependence of spin-lattice relaxation times of dipolar system (<I>T</I><SUB>1d</SUB>) and of Zeeman system (<I>T</I><SUB>1z</SUB>) on acethylenedicarboxylic acid (ADCA) and on <I>p</I>-nitrobenzoic acid (PNBA) in the <I>A</I>2⁄<I>a</I> form. High temperature motion of ADCA is 180° rotation of the eight-membered ring of dimeric carboxyl group about the axis nearly parallel to the hydrogen bonds. The activation energy of this motion of ADCA is 58 kJ mol<SUP>−1</SUP>. The low temperature motion of ADCA and PNBA is the proton translation along the hydrogen bonds in a dimeric carboxyl group, which induces the minima of <I>T</I><SUB>1z</SUB> and <I>T</I><SUB>1d</SUB> at the same temperature. The activation energy derived from the high temperature slope of <I>T</I><SUB>1z</SUB> curve is 6.9 kJ mol<SUP>−1</SUP> for ADCA and 2.5 kJ mol<SUP>−1</SUP> for PNBA. The low temperature slope gives a small activation energy of 1.9 kJ mol<SUP>−1</SUP> for ADCA and 1.0 kJ mol<SUP>−1</SUP> for PNBA. The frequency dependence of <I>T</I><SUB>1z</SUB> in the low temperature limit was constant at low Larmor frequency. This result indicates that the translational motion of protons along the hydrogen bonds is not classical but quantum-mechanical.
- 公益社団法人 日本化学会の論文
著者
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Takeda Sadamu
Department Of Chemistry Faculty Of Science Osaka University
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Chihara Hideaki
Department Of Chemistr Faculty Of Science Osaka University
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Imaoka Nobuyoshi
Department of Chemistry, Faculty of Science, Osaka University
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