計算化学手法によるフラーレンの位置選択的反応の解析

• 伊熊 直彦

  大阪大学大学院工学研究科, 〒565-0871 大阪府吹田市山田丘2-1

書誌事項

タイトル別名

• Theoretical Analysis for Regioselective Reaction of Fullerenes

抄録

Organic reactions with fullerene realize functional nanomaterials, although selective functionalization is still challenging because of many equivalent olefins causing various regioisomers. Thus, the improvement of reactivity and regioselectivity of C₆₀ reaction has been realized by structural organic chemistry such as enhancement of strain, introduction of heteroatom, and nucleophilic additoin via single eletron transfer (Figure 1 Figure 1.  Concept of the activation of C₆₀ to obtain regioselective adducts. ). This paper presents the theoretical clarification for the reactivity and selectivity of these activated reaction conditions.

収録刊行物

• Journal of Computer Chemistry, Japan

  Journal of Computer Chemistry, Japan 16 (5), 131-132, 2017

  日本コンピュータ化学会

キーワード

• Fullerene
• Regioselectivity
• Strain energy
• Ambident basicity
• Single elecron transfer

詳細情報

• CRID: 1390001205180673920
• NII論文ID: 130006342142
• DOI: 10.2477/jccj.2017-0054
• ISSN: 13473824
• ISSN: 13471767
• Web Site: https://www.jstage.jst.go.jp/article/jccj/16/5/16_2017-0054/_pdf
• 本文言語コード: ja
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