Extraction of Hydrogen Location in Molecular Crystals in Spin-Contrast-Variation Neutron Powder Diffractometry

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  • 偏極中性子によるスピンコントラスト変調法を用いた粉末中性子回折測定による分子性結晶中の水素原子位置情報の抽出
  • ヘンキョク チュウセイシ ニ ヨル スピンコントラスト ヘンチョウホウ オ モチイタ フンマツ チュウセイシ カイセツ ソクテイ ニ ヨル ブンシセイ ケッショウ チュウ ノ スイソ ゲンシ イチ ジョウホウ ノ チュウシュツ

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Abstract

<p>We developed the spin-contrast-variation neutron powder diffractometry to observe hydrogen atoms in a crystalline sample by polarized neutrons and by polarized protons in the crystal. With L-glutamic acid crystals dispersed in a deuterated polystyrene matrix containing a polarizing agent, we observed the intensities of the sample's diffraction peaks changing differently in accordance with the proton polarization. Diffraction peaks from hydrogen atoms can be extracted the spin-contrast-variation neutron powder diffractometry thanks to the variation of peak intensities as a function of proton polarization. This technique is expected to establish the method of analyzing structures of hydrogen-containing materials that are difficult to determine with conventional powder diffractometry.</p>

Journal

  • Nihon Kessho Gakkaishi

    Nihon Kessho Gakkaishi 63 (4), 287-293, 2021-12-15

    The Crystallographic Society of Japan

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