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

Hitoshi Ozawa; Kazunori Yashiro; Satoshi Yabushita

doi:10.1016/j.cplett.2015.02.025

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

Hitoshi Ozawa
, Kazunori Yashiro
, Satoshi Yabushita

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	78-83
Number of pages	6
Journal	Chemical Physics Letters
Volume	625
DOIs	https://doi.org/10.1016/j.cplett.2015.02.025
Publication status	Published - 2015 Apr 1

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2015.02.025

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

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.",

author = "Hitoshi Ozawa and Kazunori Yashiro and Satoshi Yabushita",

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T1 - A two-step electron-driven proton transfer mechanism for the solution-phase nonradiative decay process of squaraine molecule

AU - Ozawa, Hitoshi

AU - Yashiro, Kazunori

AU - Yabushita, Satoshi

PY - 2015/4/1

Y1 - 2015/4/1

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/84929380065

UR - https://www.scopus.com/pages/publications/84929380065#tab=citedBy

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DO - 10.1016/j.cplett.2015.02.025

M3 - Article

AN - SCOPUS:84929380065

SN - 0009-2614

VL - 625

SP - 78

EP - 83

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

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

Abstract

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