Crystal Structure of the Potassium Salt of Chloranil
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概要
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The crystal structures of K<SUP>+</SUP>(chloranil)<SUP>−</SUP> have been studied by X-ray diffraction. Several polymorphs were recognized, two of which (α- and β-forms) grew into comparatively good crystals. The α-form is orthorhombic, space group P2<SUB>1</SUB>2<SUB>1</SUB>2<SUB>1</SUB> with unit cell dimensions: <I>a</I>=13.49, <I>b</I>=17.02, <I>c</I>=4.03 Å. The β-form is orthorhombic, space group P22<SUB>1</SUB>2 with unit cell dimensions: <I>a</I>=14.13, <I>b</I>=17.35, <I>c</I>=3.71 Å. The structure of the α-form was deduced from the Patterson synthesis and refined by the block-diagonal least-squares method. The final <I>R</I> value was 0.13 for 146 observed reflections. Chloranil anions are stacked with equal intervals in the crystal, forming columns parallel to the c axis, the interplanar spacing being 3.47 Å. The electrostatic energy calculated by Evjen's method was about −148 kcal/mol, indicating that the structure is essentially ionic.
- 公益社団法人 日本化学会の論文
著者
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Saito Yoshihiko
The Institute for Solid State Physics The University of Tokyo
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Konno Michiko
The Institute for Solid State Physics, The University of Tokyo
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Marumo Fumiyuki
The Institute for Solid State Physics, The University of Tokyo
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Kobayashi Hayao
The Institute for Solid State Physics, The University of Tokyo
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