Dynamics of Pyrroles Excited to the 3s/πσ* State

Iker Lamas; Asier Longarte; Alvaro Peralta Conde; Gonzalo Muga; Dave Townsend; Raul Montero

doi:10.1021/acs.jpca.9b06045

Dynamics of Pyrroles Excited to the 3s/πσ* State

Iker Lamas, Asier Longarte, Alvaro Peralta Conde, Gonzalo Muga, Dave Townsend, Raul Montero

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Abstract

The available experimental data provided by ultrafast dynamics studies of pyrrole and its derivatives in excited states of mixed Rydberg/valence 3s/πσ* character are strongly affected by the interaction with the laser pulses. Understanding these data has constituted an endeavor for several groups during the past few years. Here we apply a simple theoretical model that, including the interaction with the laser pulses, allows one to clarify some aspects of the discrepancies between measurements monitoring different experimental observables. New experimental data on pyrrole, 2,4-dimethylpyrrole, and 2,5-dimethylpyrrole are also provided to check the validity of the model and to gain more insight into the excited state dynamics of pyrrole systems.

Original language	English
Pages (from-to)	8982-8993
Number of pages	12
Journal	Journal of Physical Chemistry A
Volume	123
Issue number	42
Early online date	26 Sept 2019
DOIs	https://doi.org/10.1021/acs.jpca.9b06045
Publication status	Published - 24 Oct 2019

ASJC Scopus subject areas

Physical and Theoretical Chemistry

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This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry A, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpca.9b06045
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title = "Dynamics of Pyrroles Excited to the 3s/πσ* State",

abstract = "The available experimental data provided by ultrafast dynamics studies of pyrrole and its derivatives in excited states of mixed Rydberg/valence 3s/πσ* character are strongly affected by the interaction with the laser pulses. Understanding these data has constituted an endeavor for several groups during the past few years. Here we apply a simple theoretical model that, including the interaction with the laser pulses, allows one to clarify some aspects of the discrepancies between measurements monitoring different experimental observables. New experimental data on pyrrole, 2,4-dimethylpyrrole, and 2,5-dimethylpyrrole are also provided to check the validity of the model and to gain more insight into the excited state dynamics of pyrrole systems.",

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AU - Longarte, Asier

AU - Peralta Conde, Alvaro

AU - Muga, Gonzalo

AU - Townsend, Dave

AU - Montero, Raul

PY - 2019/10/24

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AB - The available experimental data provided by ultrafast dynamics studies of pyrrole and its derivatives in excited states of mixed Rydberg/valence 3s/πσ* character are strongly affected by the interaction with the laser pulses. Understanding these data has constituted an endeavor for several groups during the past few years. Here we apply a simple theoretical model that, including the interaction with the laser pulses, allows one to clarify some aspects of the discrepancies between measurements monitoring different experimental observables. New experimental data on pyrrole, 2,4-dimethylpyrrole, and 2,5-dimethylpyrrole are also provided to check the validity of the model and to gain more insight into the excited state dynamics of pyrrole systems.

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JO - Journal of Physical Chemistry A

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Dynamics of Pyrroles Excited to the 3s/πσ* State

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