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

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

Scientific publications

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

DA SILVA, AMANDA F.; AFONSO, MARCO A. S.; CORMANICH, RODRIGO A.; JURBERG, IGOR D.. Room Temperature Coupling of Aryldiazoacetates with Boronic Acids Enhanced by Blue Light Irradiation. CHEMISTRY-A EUROPEAN JOURNAL, v. 26, n. 25, MAR 2020. (18/03910-1, 18/21979-9, 17/24017-0)

AFONSO, MARCO A. S.; CORMANICH, RODRIGO A.. The preferred geometry of hydroperoxides is the result of an interplay between electrostatic and hyperconjugative effects. Physical Chemistry Chemical Physics, v. 22, n. 46, p. 27173-27177, DEC 14 2020. (18/21979-9, 18/03910-1)