A two-step electron-driven proton transfer mechanism for the solution-phase nonradiative decay process of squaraine molecule

Hitoshi Ozawa, Kazunori Yashiro, Satoshi Yabushita

研究成果: Article査読

2 被引用数 (Scopus)

抄録

The strong solvent polarity dependence observed in the nonradiative decay rates of Bis[4-(dimethylamino)phenyl]squaraine (SQ-DMA) had previously been explained by the twisted intramolecular charge transfer mechanism. However, our recent theoretical study did not support this mechanism. We theoretically study the possibility of electron-driven proton transfer (EDPT) processes between an alcohol solvent molecule and the CO- groups of SQ-DMA using a complex model. The results actually support the EDPT mechanism that proceeds via two nonadiabatic transitions: the first from the locally excited (π → π∗) state of SQ-DMA to the charge transfer (CT) state, and the second from the CT to S0 states.

本文言語English
ページ(範囲)78-83
ページ数6
ジャーナルChemical Physics Letters
625
DOI
出版ステータスPublished - 2015 4月 1

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

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