Computational Study of Formic Acid Dehydrogenation Catalyzed by Al(III)-Bis(imino)pyridine.

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第一作者： Qian-Qian,Lu

第一单位： Collaborative Innovation Centre of Chemistry for Energy Materials, CAS Key Laboratory of Urban Pollutant Conversion, Department of Chemistry, University of Science and Technology of China, Hefei, 230026, China.

作者： Qian-Qian,Lu ^[1] ; Hai-Zhu,Yu ^[2] ; Yao,Fu ^[3]

作者单位： Collaborative Innovation Centre of Chemistry for Energy Materials, CAS Key Laboratory of Urban Pollutant Conversion, Department of Chemistry, University of Science and Technology of China, Hefei, 230026, China. ^[1] Department of Chemistry and Centre for Atomic Engineering of Advanced Materials, Anhui University, Hefei, 230601. yuhaizhu@ahu.edu.cn. ^[2] Collaborative Innovation Centre of Chemistry for Energy Materials, CAS Key Laboratory of Urban Pollutant Conversion, Department of Chemistry, University of Science and Technology of China, Hefei, 230026, China. fuyao@ustc.edu.cn. ^[3]

关键词 O?H bond activation aluminum density functional theory formic acid dehydrogenation redox non-innocent ligands

主题词催化作用(Catalysis);甲酸盐类(Formates);分子结构(Molecular Structure);有机金属化合物(Organometallic Compounds);氧化还原(Oxidation-Reduction);吡啶类(Pyridines);量子论(Quantum Theory)

DOI 10.1002/chem.201504573

PMID 26879469

发布时间 2017-01-03

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