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Mechanistic studies for the evaluation of the Thorpe-Ingold effect of CF2 groups in intramolecular cyclization reactions

Grant number: 19/21136-4
Support type:Scholarships in Brazil - Master
Effective date (Start): November 01, 2019
Effective date (End): February 28, 2021
Field of knowledge:Physical Sciences and Mathematics - Chemistry - Organic Chemistry
Principal Investigator:Rodrigo Antonio Cormanich
Grantee:Vinícius Capriles Port
Home Institution: Instituto de Química (IQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
Associated research grant:18/03910-1 - Physicochemical studies of fluorinated organic compounds: experimental and theoretical approaches, AP.JP

Abstract

In the present project we intend to evaluate experimentally by means of 1H, 13C and 19F NMR spectroscopies in situ, in the reaction flask itself, using NMR and infrared benchtop spectrometers, which are being requested in the current FAPESP Young Researcher Project, and by theoretical calculations of electronic structure, the Thorpe-Ingold effect and the mechanisms and rates of lactonization reactions of fluorinated organic compounds and compare them with their non-fluorinated analogs. It is expected that the joint analysis of the experimental and theoretical data can elucidate not only the effect of CF2 groups on the rate of reactions but also to help to understand the parameters that govern the Thorpe-Ingold effect. (AU)