Solvent Effects on Electronic Circular Dichroism Spectra

Author(s)

de Souza, Aguinaldo Robinson ; Ximenes, Valdecir Farias ; Morgon, Nelson Henrique ; Cheng, HN ; Maryanoff, CA ; Miller, BD ; Schmidt, DG

• Document type: Journal article
• Source: STEREOCHEMISTRY AND GLOBAL CONNECTIVITY: THE LEGACY OF ERNEST L ELIEL, VOL 2; v. 1258, p. 11-pg., 2017-01-01.

Abstract

The Electronic Circular Dichroism Spectrum (ECD) is a valuable tool to study the unknown absolute configuration of an optically active molecule. And the comparison between experimental data and theoretical computational calculations has been a successful strategy for this study. However, the ECD spectrum is very sensitive to solvent effects that significantly change the character of the results obtained. This chapter is focused on the study of the solvent effects and their application in both experimental and computational chemistry of ECD of the compound 3,3'-dibromo- 1,1'-bi-2-naphthol. (AU)

• FAPESP's process: 15/22338-9 - Study of the interaction between drugs and human serum albumin (HSA) based on computer simulation, DFT and TDDFT, experiments of electronic circular dichroism, ECD, and determination of the bond formation constant
• Grantee: Aguinaldo Robinson de Souza
• Support Opportunities: Regular Research Grants
• FAPESP's process: 16/20549-5 - Development and application of fluorescent probes and probes based on circular dichroism for the interaction studies of ligands with protein, characterization of amyloid proteins and determination of enzymatic activity
• Grantee: Valdecir Farias Ximenes
• Support Opportunities: Regular Research Grants