Regioselectivity on the cooxidation of 5,6-dihydroxyindole and its 2-carboxy derivative from the quantum chemical calculations

Hidekazu Okuda*, Kazumasa Wakamatsu, Shosuke Ito, Takayuki Sota

*この研究の対応する著者

研究成果: Article査読

6 被引用数 (Scopus)

抄録

We report the heterodimerization of eumelanin precursors from the quantum chemical calculations using a general-purpose reactivity indicator. 5,6-Dihydroxyindole (DHI), its 2-carboxy derivative (DHICA), and related molecules are under consideration. Molecules participating in the reaction have been identified from the electron transfer probability. The heterodimerization has been demonstrated to be the electron-transfer-controlled reaction. The theoretical prediction is in good agreement with the result of the previous cooxidation of DHI and DHICA.

本文言語English
ページ(範囲)226-229
ページ数4
ジャーナルChemical Physics Letters
490
4-6
DOI
出版ステータスPublished - 2010 4 26

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

フィンガープリント

「Regioselectivity on the cooxidation of 5,6-dihydroxyindole and its 2-carboxy derivative from the quantum chemical calculations」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル