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Ultrafast Excited-State Dynamics of CuBr3-Complex Studied with Sub-20 fs Resolution. / Khvorost, Taras A.; Beliaev, Leonid Yu; Masaoka, Yuto; Hidaka, Tsubasa; Myasnikova, Olesya S.; Ostras, Alexey S.; Bogachev, Nikita A.; Skripkin, Mikhail Yu; Panov, Maxim S.; Ryazantsev, Mikhail N.; Nagasawa, Yutaka; Mereshchenko, Andrey S.

в: Journal of Physical Chemistry B, Том 125, № 26, 08.07.2021, стр. 7213-7221.

Результаты исследований: Научные публикации в периодических изданияхстатьяРецензирование

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@article{dd87e34eec46448ea559f42e76c5f0c9,
title = "Ultrafast Excited-State Dynamics of CuBr3-Complex Studied with Sub-20 fs Resolution",
abstract = "Ultrafast excited-state dynamics of CuBr3-complex was studied in acetonitrile and dichloromethane solutions using femtosecond transient absorption spectroscopy with 18 fs temporal resolution and quantum-chemical DFT calculations. Upon 640 nm excitation, the CuBr3-complex is promoted to the ligand-to-metal charge transfer (LMCT) state, which then shortly undergoes internal conversion into the vibrationally hot ligand field (LF) excited state with time constants of 30 and 40 fs in acetonitrile and dichloromethane, respectively. The LF state nonradiatively relaxes into the ground state in 2.6 and 7.3 ps in acetonitrile and dichloromethane, respectively. Internal conversion of the LF state is accompanied by vibrational relaxation that occurs on the same time scale. Based on the analysis of coherent oscillations and quantum-chemical calculations, the predominant forms of the CuBr3-complex in acetonitrile and dichloromethane solutions were revealed. In acetonitrile, the CuBr3-complex exists as [CuBr3(CH3CN)2]−, whereas three forms of this complex, [CuBr3CH2Cl2]−, [CuBr3(CH2Cl2)2]−, and [CuBr3(CH2Cl2)3]−, are present in equilibrium in dichloromethane.",
keywords = "CHARGE-TRANSFER DYNAMICS, TRANSIENT ABSORPTION-SPECTROSCOPY, PUMP-PROBE, COPPER(II) CHLORIDE, ENERGY-TRANSFER, FORCE-FIELD, PROTEIN, LIGAND, ACETONITRILE, PHOTOCHEMISTRY",
author = "Khvorost, {Taras A.} and Beliaev, {Leonid Yu} and Yuto Masaoka and Tsubasa Hidaka and Myasnikova, {Olesya S.} and Ostras, {Alexey S.} and Bogachev, {Nikita A.} and Skripkin, {Mikhail Yu} and Panov, {Maxim S.} and Ryazantsev, {Mikhail N.} and Yutaka Nagasawa and Mereshchenko, {Andrey S.}",
note = "Publisher Copyright: {\textcopyright} 2021 American Chemical Society",
year = "2021",
month = jul,
day = "8",
doi = "10.1021/acs.jpcb.1c03797",
language = "English",
volume = "125",
pages = "7213--7221",
journal = "Journal of Physical Chemistry B",
issn = "1520-6106",
publisher = "American Chemical Society",
number = "26",

}

RIS

TY - JOUR

T1 - Ultrafast Excited-State Dynamics of CuBr3-Complex Studied with Sub-20 fs Resolution

AU - Khvorost, Taras A.

AU - Beliaev, Leonid Yu

AU - Masaoka, Yuto

AU - Hidaka, Tsubasa

AU - Myasnikova, Olesya S.

AU - Ostras, Alexey S.

AU - Bogachev, Nikita A.

AU - Skripkin, Mikhail Yu

AU - Panov, Maxim S.

AU - Ryazantsev, Mikhail N.

AU - Nagasawa, Yutaka

AU - Mereshchenko, Andrey S.

N1 - Publisher Copyright: © 2021 American Chemical Society

PY - 2021/7/8

Y1 - 2021/7/8

N2 - Ultrafast excited-state dynamics of CuBr3-complex was studied in acetonitrile and dichloromethane solutions using femtosecond transient absorption spectroscopy with 18 fs temporal resolution and quantum-chemical DFT calculations. Upon 640 nm excitation, the CuBr3-complex is promoted to the ligand-to-metal charge transfer (LMCT) state, which then shortly undergoes internal conversion into the vibrationally hot ligand field (LF) excited state with time constants of 30 and 40 fs in acetonitrile and dichloromethane, respectively. The LF state nonradiatively relaxes into the ground state in 2.6 and 7.3 ps in acetonitrile and dichloromethane, respectively. Internal conversion of the LF state is accompanied by vibrational relaxation that occurs on the same time scale. Based on the analysis of coherent oscillations and quantum-chemical calculations, the predominant forms of the CuBr3-complex in acetonitrile and dichloromethane solutions were revealed. In acetonitrile, the CuBr3-complex exists as [CuBr3(CH3CN)2]−, whereas three forms of this complex, [CuBr3CH2Cl2]−, [CuBr3(CH2Cl2)2]−, and [CuBr3(CH2Cl2)3]−, are present in equilibrium in dichloromethane.

AB - Ultrafast excited-state dynamics of CuBr3-complex was studied in acetonitrile and dichloromethane solutions using femtosecond transient absorption spectroscopy with 18 fs temporal resolution and quantum-chemical DFT calculations. Upon 640 nm excitation, the CuBr3-complex is promoted to the ligand-to-metal charge transfer (LMCT) state, which then shortly undergoes internal conversion into the vibrationally hot ligand field (LF) excited state with time constants of 30 and 40 fs in acetonitrile and dichloromethane, respectively. The LF state nonradiatively relaxes into the ground state in 2.6 and 7.3 ps in acetonitrile and dichloromethane, respectively. Internal conversion of the LF state is accompanied by vibrational relaxation that occurs on the same time scale. Based on the analysis of coherent oscillations and quantum-chemical calculations, the predominant forms of the CuBr3-complex in acetonitrile and dichloromethane solutions were revealed. In acetonitrile, the CuBr3-complex exists as [CuBr3(CH3CN)2]−, whereas three forms of this complex, [CuBr3CH2Cl2]−, [CuBr3(CH2Cl2)2]−, and [CuBr3(CH2Cl2)3]−, are present in equilibrium in dichloromethane.

KW - CHARGE-TRANSFER DYNAMICS

KW - TRANSIENT ABSORPTION-SPECTROSCOPY

KW - PUMP-PROBE

KW - COPPER(II) CHLORIDE

KW - ENERGY-TRANSFER

KW - FORCE-FIELD

KW - PROTEIN

KW - LIGAND

KW - ACETONITRILE

KW - PHOTOCHEMISTRY

UR - http://www.scopus.com/inward/record.url?scp=85110356585&partnerID=8YFLogxK

U2 - 10.1021/acs.jpcb.1c03797

DO - 10.1021/acs.jpcb.1c03797

M3 - Article

C2 - 34170695

AN - SCOPUS:85110356585

VL - 125

SP - 7213

EP - 7221

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 26

ER -

ID: 85610542