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http://hdl.handle.net/2445/185132
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DC Field | Value | Language |
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dc.contributor.author | Echeverría, Jorge | - |
dc.contributor.author | Jover Modrego, Jesús | - |
dc.date.accessioned | 2022-04-22T15:13:32Z | - |
dc.date.available | 2022-04-22T15:13:32Z | - |
dc.date.issued | 2022-01-17 | - |
dc.identifier.issn | 1434-193X | - |
dc.identifier.uri | http://hdl.handle.net/2445/185132 | - |
dc.description.abstract | Fluorinated carboxylic acids may soon become a relevant class of compounds for new materials development and as synthons in medicinal chemistry. In this report, a potential method based on a hydroboration/copper-catalyzed carboxylation reaction sequence has been computationally explored to check whether these moieties could be synthetically accessible. DFT calculations fully support the possibility of obtaining fluorinated carboxylic acids from simple fluorinated alkenes and gaseous carbon dioxide, paving the way to future preparation of this class of chemicals. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | Wiley-VCH | - |
dc.relation.isformatof | Reproducció del document publicat a: https://doi.org/10.1002/ejoc.202101243 | - |
dc.relation.ispartof | European Journal of Organic Chemistry, 2022, vol. 2022, num. 2 | - |
dc.relation.uri | https://doi.org/10.1002/ejoc.202101243 | - |
dc.rights | (c) Echeverría, Jorge, et al., 2022 | - |
dc.source | Articles publicats en revistes (Química Inorgànica i Orgànica) | - |
dc.subject.classification | Teoria del funcional de densitat | - |
dc.subject.classification | Alquens | - |
dc.subject.classification | Àcids carboxílics | - |
dc.subject.other | Density functionals | - |
dc.subject.other | Alkenes | - |
dc.subject.other | Carboxylic acids | - |
dc.title | From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and Predictions | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/publishedVersion | - |
dc.identifier.idgrec | 718768 | - |
dc.date.updated | 2022-04-22T15:13:32Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Química Inorgànica i Orgànica) Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB)) |
Files in This Item:
File | Description | Size | Format | |
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718768.pdf | 5.76 MB | Adobe PDF | View/Open |
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