Intramolecular Charge Transfer of 1-Aminoanthraquinone and Ultrafast Solvation Dynamics of Dimethylsulfoxide

The intramolecular charge transfer (ICT) of 1-aminoanthraquinone (AAQ) in the excited state strongly depends on its solvent properties, and the twisted geometry of its amino group has been recommended for the twisted ICT (TICT) state by recent theoretical works. We report the transient Raman spectra...

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Autores principales: Kooknam Jeon, Myungsam Jen, Sebok Lee, Taehyung Jang, Yoonsoo Pang
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Publicado: MDPI AG 2021
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Acceso en línea:https://doaj.org/article/25fe52fd4e214b09b368cfab2bd510f6
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spelling oai:doaj.org-article:25fe52fd4e214b09b368cfab2bd510f62021-11-11T17:20:37ZIntramolecular Charge Transfer of 1-Aminoanthraquinone and Ultrafast Solvation Dynamics of Dimethylsulfoxide10.3390/ijms2221119261422-00671661-6596https://doaj.org/article/25fe52fd4e214b09b368cfab2bd510f62021-11-01T00:00:00Zhttps://www.mdpi.com/1422-0067/22/21/11926https://doaj.org/toc/1661-6596https://doaj.org/toc/1422-0067The intramolecular charge transfer (ICT) of 1-aminoanthraquinone (AAQ) in the excited state strongly depends on its solvent properties, and the twisted geometry of its amino group has been recommended for the twisted ICT (TICT) state by recent theoretical works. We report the transient Raman spectra of AAQ in a dimethylsulfoxide (DMSO) solution by femtosecond stimulated Raman spectroscopy to provide clear experimental evidence for the TICT state of AAQ. The ultrafast (~110 fs) TICT dynamics of AAQ were observed from the major vibrational modes of AAQ including the ν<sub>C-N</sub> + δ<sub>CH</sub> and ν<sub>C=O</sub> modes. The coherent oscillations in the vibrational bands of AAQ strongly coupled to the nuclear coordinate for the TICT process have been observed, which showed its anharmonic coupling to the low frequency out of the plane deformation modes. The vibrational mode of solvent DMSO, ν<sub>S=O</sub> showed a decrease in intensity, especially in the hydrogen-bonded species of DMSO, which clearly shows that the solvation dynamics of DMSO, including hydrogen bonding, are crucial to understanding the reaction dynamics of AAQ with the ultrafast structural changes accompanying the TICT.Kooknam JeonMyungsam JenSebok LeeTaehyung JangYoonsoo PangMDPI AGarticleintramolecular charge transferexcited-state dynamicssolvation dynamicscoherent oscillationsfemtosecond stimulated Raman spectroscopyBiology (General)QH301-705.5ChemistryQD1-999ENInternational Journal of Molecular Sciences, Vol 22, Iss 11926, p 11926 (2021)
institution DOAJ
collection DOAJ
language EN
topic intramolecular charge transfer
excited-state dynamics
solvation dynamics
coherent oscillations
femtosecond stimulated Raman spectroscopy
Biology (General)
QH301-705.5
Chemistry
QD1-999
spellingShingle intramolecular charge transfer
excited-state dynamics
solvation dynamics
coherent oscillations
femtosecond stimulated Raman spectroscopy
Biology (General)
QH301-705.5
Chemistry
QD1-999
Kooknam Jeon
Myungsam Jen
Sebok Lee
Taehyung Jang
Yoonsoo Pang
Intramolecular Charge Transfer of 1-Aminoanthraquinone and Ultrafast Solvation Dynamics of Dimethylsulfoxide
description The intramolecular charge transfer (ICT) of 1-aminoanthraquinone (AAQ) in the excited state strongly depends on its solvent properties, and the twisted geometry of its amino group has been recommended for the twisted ICT (TICT) state by recent theoretical works. We report the transient Raman spectra of AAQ in a dimethylsulfoxide (DMSO) solution by femtosecond stimulated Raman spectroscopy to provide clear experimental evidence for the TICT state of AAQ. The ultrafast (~110 fs) TICT dynamics of AAQ were observed from the major vibrational modes of AAQ including the ν<sub>C-N</sub> + δ<sub>CH</sub> and ν<sub>C=O</sub> modes. The coherent oscillations in the vibrational bands of AAQ strongly coupled to the nuclear coordinate for the TICT process have been observed, which showed its anharmonic coupling to the low frequency out of the plane deformation modes. The vibrational mode of solvent DMSO, ν<sub>S=O</sub> showed a decrease in intensity, especially in the hydrogen-bonded species of DMSO, which clearly shows that the solvation dynamics of DMSO, including hydrogen bonding, are crucial to understanding the reaction dynamics of AAQ with the ultrafast structural changes accompanying the TICT.
format article
author Kooknam Jeon
Myungsam Jen
Sebok Lee
Taehyung Jang
Yoonsoo Pang
author_facet Kooknam Jeon
Myungsam Jen
Sebok Lee
Taehyung Jang
Yoonsoo Pang
author_sort Kooknam Jeon
title Intramolecular Charge Transfer of 1-Aminoanthraquinone and Ultrafast Solvation Dynamics of Dimethylsulfoxide
title_short Intramolecular Charge Transfer of 1-Aminoanthraquinone and Ultrafast Solvation Dynamics of Dimethylsulfoxide
title_full Intramolecular Charge Transfer of 1-Aminoanthraquinone and Ultrafast Solvation Dynamics of Dimethylsulfoxide
title_fullStr Intramolecular Charge Transfer of 1-Aminoanthraquinone and Ultrafast Solvation Dynamics of Dimethylsulfoxide
title_full_unstemmed Intramolecular Charge Transfer of 1-Aminoanthraquinone and Ultrafast Solvation Dynamics of Dimethylsulfoxide
title_sort intramolecular charge transfer of 1-aminoanthraquinone and ultrafast solvation dynamics of dimethylsulfoxide
publisher MDPI AG
publishDate 2021
url https://doaj.org/article/25fe52fd4e214b09b368cfab2bd510f6
work_keys_str_mv AT kooknamjeon intramolecularchargetransferof1aminoanthraquinoneandultrafastsolvationdynamicsofdimethylsulfoxide
AT myungsamjen intramolecularchargetransferof1aminoanthraquinoneandultrafastsolvationdynamicsofdimethylsulfoxide
AT seboklee intramolecularchargetransferof1aminoanthraquinoneandultrafastsolvationdynamicsofdimethylsulfoxide
AT taehyungjang intramolecularchargetransferof1aminoanthraquinoneandultrafastsolvationdynamicsofdimethylsulfoxide
AT yoonsoopang intramolecularchargetransferof1aminoanthraquinoneandultrafastsolvationdynamicsofdimethylsulfoxide
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