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Observation of Distinct Carboxylic Acid Conformers in Aqueous Solution
[Image: see text] We investigate the molecular geometry of the carboxyl group of formic acid in acetonitrile and aqueous solutions at room temperature with two-dimensional infrared spectroscopy (2D-IR). We found that the carboxyl group adopts two distinct configurations: a configuration in which the...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2019
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6589744/ https://www.ncbi.nlm.nih.gov/pubmed/31125521 http://dx.doi.org/10.1021/acs.jpclett.9b00915 |
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author | Giubertoni, Giulia Sofronov, Oleksandr O. Bakker, Huib J. |
author_facet | Giubertoni, Giulia Sofronov, Oleksandr O. Bakker, Huib J. |
author_sort | Giubertoni, Giulia |
collection | PubMed |
description | [Image: see text] We investigate the molecular geometry of the carboxyl group of formic acid in acetonitrile and aqueous solutions at room temperature with two-dimensional infrared spectroscopy (2D-IR). We found that the carboxyl group adopts two distinct configurations: a configuration in which the carbonyl group is oriented antiparallel to the hydroxyl (anti-conformer), and a configuration in which the carbonyl group is oriented at an angle of ∼60° with respect to the hydroxyl (syn-conformer). These results constitute the first experimental evidence that carboxyl groups exist as two distinct and long-living conformational isomers in aqueous solution at room temperature. |
format | Online Article Text |
id | pubmed-6589744 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | American Chemical
Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-65897442019-06-25 Observation of Distinct Carboxylic Acid Conformers in Aqueous Solution Giubertoni, Giulia Sofronov, Oleksandr O. Bakker, Huib J. J Phys Chem Lett [Image: see text] We investigate the molecular geometry of the carboxyl group of formic acid in acetonitrile and aqueous solutions at room temperature with two-dimensional infrared spectroscopy (2D-IR). We found that the carboxyl group adopts two distinct configurations: a configuration in which the carbonyl group is oriented antiparallel to the hydroxyl (anti-conformer), and a configuration in which the carbonyl group is oriented at an angle of ∼60° with respect to the hydroxyl (syn-conformer). These results constitute the first experimental evidence that carboxyl groups exist as two distinct and long-living conformational isomers in aqueous solution at room temperature. American Chemical Society 2019-05-24 2019-06-20 /pmc/articles/PMC6589744/ /pubmed/31125521 http://dx.doi.org/10.1021/acs.jpclett.9b00915 Text en Copyright © 2019 American Chemical Society This is an open access article published under a Creative Commons Non-Commercial No Derivative Works (CC-BY-NC-ND) Attribution License (http://pubs.acs.org/page/policy/authorchoice_ccbyncnd_termsofuse.html) , which permits copying and redistribution of the article, and creation of adaptations, all for non-commercial purposes. |
spellingShingle | Giubertoni, Giulia Sofronov, Oleksandr O. Bakker, Huib J. Observation of Distinct Carboxylic Acid Conformers in Aqueous Solution |
title | Observation of Distinct Carboxylic Acid Conformers
in Aqueous Solution |
title_full | Observation of Distinct Carboxylic Acid Conformers
in Aqueous Solution |
title_fullStr | Observation of Distinct Carboxylic Acid Conformers
in Aqueous Solution |
title_full_unstemmed | Observation of Distinct Carboxylic Acid Conformers
in Aqueous Solution |
title_short | Observation of Distinct Carboxylic Acid Conformers
in Aqueous Solution |
title_sort | observation of distinct carboxylic acid conformers
in aqueous solution |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6589744/ https://www.ncbi.nlm.nih.gov/pubmed/31125521 http://dx.doi.org/10.1021/acs.jpclett.9b00915 |
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