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

doi:10.1016/j.cplett.2019.136870

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

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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.

Original language	English
Article number	136870
Journal	Chemical Physics Letters
Volume	738
Early online date	19 Oct 2019
DOIs	https://doi.org/10.1016/j.cplett.2019.136870
Publication status	Published - Jan 2020

Keywords

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

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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

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. ",

keywords = "Coupled-cluster methods, Excited state dynamics, Laser-based thermal desorption, Mixed Rydberg/valence states, Ultrafast spectroscopy",

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language = "English",

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AU - Crane, Stuart W.

AU - Ghafur, Omair

AU - Saalbach, Lisa

AU - Paterson, Martin J.

AU - Townsend, Dave

PY - 2020/1

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N2 - 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.

AB - 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.

KW - Coupled-cluster methods

KW - Excited state dynamics

KW - Laser-based thermal desorption

KW - Mixed Rydberg/valence states

KW - Ultrafast spectroscopy

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VL - 738

JO - Chemical Physics Letters

JF - Chemical Physics Letters

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ER -

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

Abstract

Keywords

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