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高木 成幸*; 飯島 祐樹*; 佐藤 豊人*; 齋藤 寛之; 池田 一貴*; 大友 季哉*; 三輪 和利*; 池庄司 民夫*; 青木 勝敏*; 折茂 慎一*
Angewandte Chemie; International Edition, 54(19), p.5650 - 5653, 2015/05
被引用回数:32 パーセンタイル:68.44(Chemistry, Multidisciplinary)Despite many exploratory studies over the past several decades, the presently known transition metals that form homoleptic transition-metal hydride complexes are limited to the Groups 7-12. Here we present evidence for the formation of MgCrH, containing the first Group 6 hydride complex [CrH.
高木 成幸*; 齋藤 寛之; 遠藤 成輝; 佐藤 龍太郎*; 池庄司 民夫*; 松尾 元彰*; 三輪 和利*; 青木 勝敏; 折茂 慎一*
Physical Review B, 87(12), p.125134_1 - 125134_6, 2013/03
被引用回数:14 パーセンタイル:53.53(Materials Science, Multidisciplinary)A metallic perovskite-type hydride LiNiH was synthesized based on first-principles prediction. We theoretically examined its electronic structure and found that half of the Ni-H derived antibonding states are occupied and that the modest thermodynamic stability depends on a delicate balance between (1) destabilization and (2) alleviation of compression frustration in corner-sharing octahedra, both of which arise from occupation of antibonding states. Through density-functional analyses of the electronic structure and lattice instability extending over LiH series ( = Fe, Co, Ni, and Cu), we showed that the balance is in fact reflected in their thermodynamic stability.
松尾 元彰*; 齋藤 寛之; 町田 晃彦; 佐藤 龍太郎*; 高木 成幸*; 三輪 和利*; 綿貫 徹; 片山 芳則; 青木 勝敏; 折茂 慎一*
RSC Advances (Internet), 3(4), p.1013 - 1016, 2013/01
被引用回数:19 パーセンタイル:53.62(Chemistry, Multidisciplinary)The novel complex hydride YLiFeH with the Fe-H complex anion ([FeH]) was synthesized by hydrogenation of YFe together with additional Li. Li adjusts the original imbalanced charge between Y and [FeH] by donating an electron to convert into Li during the hydrogenation, resulting in the formation of the well charge-balanced state of YLi[FeH].