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

Taras A Khvorost, Leonid Yu Beliaev, Yuto Masaoka, Tsubasa Hidaka, Olesya S Myasnikova, Alexey S Ostras, Nikita A Bogachev, Mikhail Yu Skripkin, Maxim S Panov, Mikhail N Ryazantsev, Yutaka Nagasawa, Andrey S. Mereshchenko*

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

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.
Original languageEnglish
JournalJournal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical
Volume125
Issue number26
Pages (from-to)7213-7221
ISSN1520-6106
DOIs
Publication statusPublished - 2021

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