Role of molecular distortions in the spin-orbit coupling between the singlet and triplet states of the 4π electron systems C4H4, C5H5+, and C3H3-

研究成果: Contribution to journalArticle査読

22 被引用数 (Scopus)

抄録

The SOC between the single and triplet states of cyclobutadiene, cyclopentadienyl cation, and cyclopropenyl anion was studied as a function of certain molecular distortions. Based on the SOC and the distortion energy, it was concluded that the order of the transition probability should lie in the order cyclopropenyl anion>cyclobutadiene>cyclopentadienyl cation.

本文言語英語
ページ(範囲)9243-9254
ページ数12
ジャーナルJournal of Chemical Physics
115
20
DOI
出版ステータス出版済み - 11 22 2001

All Science Journal Classification (ASJC) codes

  • 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

「Role of molecular distortions in the spin-orbit coupling between the singlet and triplet states of the 4π electron systems C<sub>4</sub>H<sub>4</sub>, C<sub>5</sub>H<sub>5</sub><sup>+</sup>, and C<sub>3</sub>H<sub>3</sub><sup>-</sup>」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。

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