Solvent and Substituent Effects on the Phosphine + CO2 Reaction

A theoretical study of the substituent and solvent effects on the reaction of phosphines with CO2 has been carried out by means of Møller-Plesset (MP2) computational level calculations and continuum polarizable method (PCM) solvent models. Three stationary points along the reaction coordi...

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Bibliographic Details
Main Authors: Ibon Alkorta, Cristina Trujillo, Goar Sánchez-Sanz, José Elguero
Format: Article
Language:English
Published: MDPI AG 2018-10-01
Series:Inorganics
Subjects:
MP2
Online Access:http://www.mdpi.com/2304-6740/6/4/110