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

Research output: Contribution to journalArticlepeer-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
Pages (from-to)7213-7221
Number of pages9
JournalJournal of Physical Chemistry B
Volume125
Issue number26
DOIs
StatePublished - 8 Jul 2021

Scopus subject areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

Keywords

  • CHARGE-TRANSFER DYNAMICS
  • TRANSIENT ABSORPTION-SPECTROSCOPY
  • PUMP-PROBE
  • COPPER(II) CHLORIDE
  • ENERGY-TRANSFER
  • FORCE-FIELD
  • PROTEIN
  • LIGAND
  • ACETONITRILE
  • PHOTOCHEMISTRY

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