新しい酸水素化物BaScO2Hの合成に関する論文がInorganic Chemistryにオンライン掲載されました。理論(*Ab initio* random structure searches法)とNMRスペクトルの解析によって、同物質のScO4H2八面体がcis配位を若干好む傾向があることが見出されました。ヒドリド伝導体としての応用が期待されます。 A01の陰山、A02の野田、山本、A03の内本、および英国、米国の研究者(国際活動支援班の援助による)らとの共同研究の成果です。
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Goto, Y.; Tassel, C.; Noda, Y.; Hernandez, O.; Pickard, C. J.; Green, M. A.; Sakaebe, H.; Taguchi, N.; Uchimoto, Y.; Kobayashi, Y.; Kageyama, H.
Pressure-Stabilized Cubic Perovskite Oxyhydride BaScO2H.
Inorg. Chem. 2017. https://doi.org/10.1021/acs.inorgchem.6b02834.