2026-04-17T00:58:46Zhttps://recercat.cat/oai/request

oai:recercat.cat:2445/1851322025-12-05T11:00:33Zcom_2072_1057col_2072_478907col_2072_478917col_2072_478933

00925njm 22002777a 4500 dc Echeverría, Jorge author Jover Modrego, Jesús author 2022-04-22T15:13:32Z 2022-04-22T15:13:32Z 2022-01-17 2022-04-22T15:13:32Z 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. Teoria del funcional de densitat Alquens Àcids carboxílics Density functionals Alkenes Carboxylic acids From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and Predictions