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

Extraction of hydrogen location in molecular crystals in spin-contrast-variation neutron powder diffractometry

三浦 大輔*; 熊田 高之   ; 岩田 高広*

Miura, Daisuke*; Kumada, Takayuki; Iwata, Takahiro*

スピンコントラスト変調粉末結晶構造解析法を開発した。本手法では、粉末結晶の偏極中性子散乱パターンの水素核偏極にともなく強度変化から結晶中の水素位置を決定することができる。我々はグルタミン酸粉末結晶を用いて本手法の原理実証実験に成功した。

We have developed the spin-contrast-variation neutron powder diffractometry to observe hydrogen atoms in a crystalline sample by polarized neutron and polarized proton in the crystal. L-glutamic acid crystals were dispersed in a deuterated polystyrene matrix containing a polarizing agent. The intensities of the diffraction peaks of the sample changed according to the proton polarization. The spin-contrast-variation neutron powder diffractometry can extract diffraction from hydrogen atoms because of the variation of peak intensities as a function of the proton polarization. This technique is expected to enable analyses of the structures of hydrogen-containing materials that are difficult to determine with conventional powder diffractometry.