The influence of substituent position on the excited state dynamics operating in 4-, 5- and 6-hydroxyindole

Stuart W. Crane, Omair Ghafur, Lisa Saalbach, Martin J. Paterson, Dave Townsend

Research output: Contribution to journalArticle

Abstract

Ultrafast time-resolved ion yield spectroscopy using 286 nm excitation reveals more than an order of magnitude difference between the S 1(ππ*) excited state lifetimes of several monohydroxyindole (HI) species (4-HI < 6-HI < 5-HI). The observed trend is even more striking upon considering the degree of excitation relative to the S 1(ππ*) origin – something investigated further by supporting coupled-cluster quantum chemistry calculations. The work was facilitated by the use of a simple laser-based desorption method that offers an alternative strategy to molecular beam methods when conducting gas-phase experiments with low vapor pressure samples.

Original languageEnglish
Article number136870
JournalChemical Physics Letters
Volume738
Early online date19 Oct 2019
DOIs
Publication statusPublished - Jan 2020

Fingerprint

Quantum chemistry
Molecular beams
Vapor pressure
Excited states
Desorption
Gases
Spectroscopy
Ions
Lasers
excitation
Experiments
quantum chemistry
vapor pressure
molecular beams
low pressure
desorption
vapor phases
trends
conduction
life (durability)

Keywords

  • Coupled-cluster methods
  • Excited state dynamics
  • Laser-based thermal desorption
  • Mixed Rydberg/valence states
  • Ultrafast spectroscopy

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

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abstract = "Ultrafast time-resolved ion yield spectroscopy using 286 nm excitation reveals more than an order of magnitude difference between the S 1(ππ*) excited state lifetimes of several monohydroxyindole (HI) species (4-HI < 6-HI < 5-HI). The observed trend is even more striking upon considering the degree of excitation relative to the S 1(ππ*) origin – something investigated further by supporting coupled-cluster quantum chemistry calculations. The work was facilitated by the use of a simple laser-based desorption method that offers an alternative strategy to molecular beam methods when conducting gas-phase experiments with low vapor pressure samples.",
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The influence of substituent position on the excited state dynamics operating in 4-, 5- and 6-hydroxyindole. / Crane, Stuart W.; Ghafur, Omair; Saalbach, Lisa; Paterson, Martin J.; Townsend, Dave.

In: Chemical Physics Letters, Vol. 738, 136870, 01.2020.

Research output: Contribution to journalArticle

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AU - Ghafur, Omair

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AU - Townsend, Dave

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