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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2020
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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 |
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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 |