Cargando…

Is there a photochemical Hammond postulate?

The Hammond postulate is a useful tool for approximating the energy and the structure of transition states. It was designed for use in ground state reactions, and has been applied successfully on many occasions. On the other hand, its usefulness for photochemical reactions is more questionable, as d...

Descripción completa

Detalles Bibliográficos
Autores principales: Bochet, Christian G., Harvey, Freya M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8178980/
https://www.ncbi.nlm.nih.gov/pubmed/34163790
http://dx.doi.org/10.1039/d0sc04370b
_version_ 1783703685772083200
author Bochet, Christian G.
Harvey, Freya M.
author_facet Bochet, Christian G.
Harvey, Freya M.
author_sort Bochet, Christian G.
collection PubMed
description The Hammond postulate is a useful tool for approximating the energy and the structure of transition states. It was designed for use in ground state reactions, and has been applied successfully on many occasions. On the other hand, its usefulness for photochemical reactions is more questionable, as different energy surfaces are involved. So far, no systematic studies on the validity of the Hammond postulate for photochemical reactions are available. The present work aims at filling this gap by providing a simple, unbiased series of test reactions based on the stereospecificity of isotopically labelled substrates.
format Online
Article
Text
id pubmed-8178980
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher The Royal Society of Chemistry
record_format MEDLINE/PubMed
spelling pubmed-81789802021-06-22 Is there a photochemical Hammond postulate? Bochet, Christian G. Harvey, Freya M. Chem Sci Chemistry The Hammond postulate is a useful tool for approximating the energy and the structure of transition states. It was designed for use in ground state reactions, and has been applied successfully on many occasions. On the other hand, its usefulness for photochemical reactions is more questionable, as different energy surfaces are involved. So far, no systematic studies on the validity of the Hammond postulate for photochemical reactions are available. The present work aims at filling this gap by providing a simple, unbiased series of test reactions based on the stereospecificity of isotopically labelled substrates. The Royal Society of Chemistry 2020-11-11 /pmc/articles/PMC8178980/ /pubmed/34163790 http://dx.doi.org/10.1039/d0sc04370b Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Bochet, Christian G.
Harvey, Freya M.
Is there a photochemical Hammond postulate?
title Is there a photochemical Hammond postulate?
title_full Is there a photochemical Hammond postulate?
title_fullStr Is there a photochemical Hammond postulate?
title_full_unstemmed Is there a photochemical Hammond postulate?
title_short Is there a photochemical Hammond postulate?
title_sort is there a photochemical hammond postulate?
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8178980/
https://www.ncbi.nlm.nih.gov/pubmed/34163790
http://dx.doi.org/10.1039/d0sc04370b
work_keys_str_mv AT bochetchristiang isthereaphotochemicalhammondpostulate
AT harveyfreyam isthereaphotochemicalhammondpostulate