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Physical organic chemistry studies of peroxides and dissulfides for the understanding of their properties and reactivities

Grant number: 18/21979-9
Support type:Scholarships in Brazil - Scientific Initiation
Effective date (Start): November 01, 2018
Effective date (End): October 31, 2019
Field of knowledge:Physical Sciences and Mathematics - Chemistry
Principal Investigator:Rodrigo Antonio Cormanich
Grantee:Marco Aurélio de Souza Afonso
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

It is proposed the study of the physicochemical properties and reactivities of peroxide and disulfide molecules (R1XXR2; X = O and S, R1/R2 = H, CH3, CH2CH3, iPr, tBu, F, Cl, Br, I, C O) CH3 or C(O)CF3). The non-commercial compounds will be synthesized and theoretical calculations will be carried out at ab initio levels and with applications of DFT functional and also spectroscopic studies of the synthesized molecules.