Substituent effects on the electronic structure of the flat Blatter radical: correlation analysis of experimental and computational data
Paulina Bartos, Aniket A. Hande, Anna Pietrzak, Anna Chrostowska, Piotr Kaszyński
Abstract
Functionalized flat Blatter radicals were obtained and substituent effects on spectroscopy, electrochemistry, and stability were investigated by correlation and DFT methods.
Topics & Concepts
ChemistrySubstituentRadicalElectrochemistryComputational chemistryLinear correlationElectronic structureStability (learning theory)Electronic correlationMoleculeStereochemistryPhysical chemistryOrganic chemistryMachine learningElectrodeStatisticsMathematicsComputer sciencePhotochemistry and Electron Transfer StudiesFree Radicals and AntioxidantsMolecular Junctions and Nanostructures