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Multichannel photodissociation dynamics in CS2 studied by ultrafast electron diffraction.

Weronika O Razmus1, Kyle Acheson2, Philip Bucksbaum3

  • 1School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, UK. r.s.minns@soton.ac.uk.

Physical Chemistry Chemical Physics : PCCP
|June 16, 2022
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Summary
This summary is machine-generated.

Ultrafast electron diffraction reveals the structural dynamics of photoexcited carbon disulfide (CS2) molecules. This study details the dissociation pathways leading to carbon monosulfide fragments and sulfur atoms.

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Area of Science:

  • Physical Chemistry
  • Molecular Dynamics
  • Spectroscopy

Background:

  • Carbon disulfide (CS2) is a key molecule for studying photochemical reactions.
  • Understanding the dynamics of photoexcited molecules is crucial for chemical reaction control.

Purpose of the Study:

  • To investigate the structural dynamics of gas-phase carbon disulfide (CS2) after photoexcitation.
  • To elucidate the dissociation pathways and fragment production.

Main Methods:

  • Ultrafast electron diffraction (UED) was employed to probe molecular structure.
  • Femtosecond laser pulses at 200 nm initiated the photoexcitation.
  • A trajectory-fitting filtering approach was used to extract structural dynamics.

Main Results:

  • Photoexcitation of CS2 leads to rapid vibrational motion, internal conversion, and intersystem crossing.
  • Dissociation yields CS fragments and singlet/triplet sulfur atoms.
  • Singlet and triplet dissociation pathways were characterized.

Conclusions:

  • The study provides detailed insights into the ultrafast structural changes and dissociation mechanisms of CS2.
  • The findings contribute to a deeper understanding of photochemical processes in small molecules.