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

Hitoshi Ozawa, Kazunori Yashiro, Satoshi Yabushita

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2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)78-83
Number of pages6
JournalChemical Physics Letters
Volume625
DOIs
Publication statusPublished - 2015 Apr 1

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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