Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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 изданиях › статья › Рецензирование
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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