INQUISUR 21779
INSTITUTO DE QUIMICA DEL SUR
Unidad Ejecutora - UE
artículos
Título:
Hydrophosphorylation of aliphatic alkynes catalyzed by CuNPs/ZnO for the synthesis of vinyl phosphonates. A DFT study on the reaction mechanism
Autor/es:
VIVIANA DORN; YANINA MOGLIE; LEANDRO F. FORTUNATO; YANINA MOGLIE; GABRIEL RADIVOY; LEANDRO F. FORTUNATO; VIVIANA DORN; GABRIEL RADIVOY
Revista:
RSC Advances
Editorial:
RSC Advances
Referencias:
Año: 2017 vol. 7 p. 18707 - 18713
ISSN:
2046-2069
Resumen:
The reaction mechanism of the CuNPs/ZnO-catalyzed hydrophosphorylation of aliphatic alkynes for the synthesis of vinyl phosphonates has been investigated. Based on experimental observations and theoretical calculations through DFT studies, a reaction mechanism is proposed, in which a crucial role of both the solvent and the catalyst support is suggested. DFT studies and experimental data, are consistent with a reaction mechanism based on a copper-catalyzed anti-Markovnikov hydrophosphorylation process that favours the formation of the vinyl phosphonate E isomer.
