A Theoretical Study of the Electronic Structures of Several Methyl Compounds of Group I, II, and III Elements

スポンサーリンク

概要

• 論文の詳細を見る

• The electronic states of the group I, II, and III methyl compounds were investigated using the extended Hückel method, with particular reference to the nature of the bond of metal-carbon. First, the monomers of the group I methyl compounds indicated remarkable electron-localizations on the carbon atom in CH<SUB>3</SUB>. (CH<SUB>3</SUB>Li)<SUB>4</SUB> was found to be a possible tetramer, its total energy being lower by 0.34 eV per CH<SUB>3</SUB>Li unit than that of the CH<SUB>3</SUB>Li-monomer in spite of the unstability of (CH<SUB>3</SUB>Li)<SUB>2</SUB>. Second, (CH<SUB>3</SUB>)<SUB>4</SUB>Be<SUB>2</SUB> was more stable than (CH<SUB>3</SUB>)<SUB>2</SUB>Be by <I>ca.</I> 4.04 eV per (CH<SUB>3</SUB>)<SUB>2</SUB>Be unit. Third, the stability of (CH<SUB>3</SUB>)<SUB>3</SUB>B in the form of a monomer was understood well by the fact that its π-bond nature is so much in comparison with that of (CH<SUB>3</SUB>)<SUB>3</SUB>Al. Finally, the reactivities in a series of the groups were discussed briefly in connection with the electronic states.

• 公益社団法人 日本化学会の論文

著者

• Ohkubo Katsutoshi

  Faculty of Engineering, Kumamoto University

• Okada Masahide

  Faculty of Engineering, Kumamoto University

• Shimada Hidetoshi

  Faculty of Engineering, Kumamoto University

関連論文

• Simulation Analysis of the Acid–catalyzed Hydrolysis of Carboxylatopentammineruthenium(III) Complexes
• A Theoretical Study of the Catalytic Activity of Group I Metal Salts in the Homogeneous Liquid-Phase Oxidation
• A Theoretical Study of the Electronic Structures of Several Methyl Compounds of Group I, II, and III Elements
• A Study of the Decomposition Reaction of Cumene Hydroperoxide in the Presence of Triphenylsulfonium Chloride
• A Theoretical Study of the Possible Interaction between Sulfonium Salts and Molecular Oxygen

スポンサーリンク