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Article

Twisted Intramolecular Charge Transfer State of a “Push-Pull” Emitter

Department of Chemistry, Gwangju Institute of Science and Technology, 123 Cheomdangwagi-ro, Buk-gu, Gwangju 61005, Korea
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Int. J. Mol. Sci. 2020, 21(21), 7999; https://doi.org/10.3390/ijms21217999
Received: 13 October 2020 / Revised: 26 October 2020 / Accepted: 26 October 2020 / Published: 27 October 2020
(This article belongs to the Section Physical Chemistry and Chemical Physics)
The excited state Raman spectra of 4-dicyanomethylene-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran (DCM) in the locally-excited (LE) and the intramolecular charge transfer (ICT) states have been separately measured by time-resolved stimulated Raman spectroscopy. In a polar dimethylsulfoxide solution, the ultrafast ICT of DCM with a time constant of 1.0 ps was observed in addition to the vibrational relaxation in the ICT state of 4–7 ps. On the other hand, the energy of the ICT state of DCM becomes higher than that of the LE state in a less polar chloroform solution, where the initially-photoexcited ICT state with the LE state shows the ultrafast internal conversion to the LE state with a time constant of 300 fs. The excited-state Raman spectra of the LE and ICT state of DCM showed several major vibrational modes of DCM in the LE and ICT conformer states coexisting in the excited state. Comparing to the time-dependent density functional theory simulations and the experimental results of similar push-pull type molecules, a twisted geometry of the dimethylamino group is suggested for the structure of DCM in the S1/ICT state. View Full-Text
Keywords: intramolecular charge transfer; excited-state dynamics; femtosecond stimulated raman spectroscopy; push-pull emitter; twisted intramolecular charge transfer intramolecular charge transfer; excited-state dynamics; femtosecond stimulated raman spectroscopy; push-pull emitter; twisted intramolecular charge transfer
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MDPI and ACS Style

Lee, S.; Jen, M.; Pang, Y. Twisted Intramolecular Charge Transfer State of a “Push-Pull” Emitter. Int. J. Mol. Sci. 2020, 21, 7999. https://doi.org/10.3390/ijms21217999

AMA Style

Lee S, Jen M, Pang Y. Twisted Intramolecular Charge Transfer State of a “Push-Pull” Emitter. International Journal of Molecular Sciences. 2020; 21(21):7999. https://doi.org/10.3390/ijms21217999

Chicago/Turabian Style

Lee, Sebok, Myungsam Jen, and Yoonsoo Pang. 2020. "Twisted Intramolecular Charge Transfer State of a “Push-Pull” Emitter" International Journal of Molecular Sciences 21, no. 21: 7999. https://doi.org/10.3390/ijms21217999

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