MCD and Induced CD of a Tetraphenoxyperylene-Based Dye in Chiral Solvents: An Experimental and Computational Study

Simone Ghidinelli, Marco Fusè, Giuseppe Mazzeo, Sergio Abbate, Giovanna Longhi
2022 Symmetry  
The magnetic circular dichroism (MCD) spectrum of N,N′-bis(2,6-diisopropylphenyl)-1,6,7,12-tetraphenoxyperylene-3,4:9,10-tetracarboxydiimide, also known as Lumogen Red 300 or ROT-300, has been recorded both in achiral and chiral solvents. The induced CD spectra in chiral solvents have, similarly, been recorded. A discussion of the spectroscopic response, both in CD and in MCD experiments, is presented in this paper. Both types of spectra have been predicted most satisfactorily by DFT
more » ... s; the CD spectra were obtained by assuming the prevalence of one "enantiomeric" conformer and the same set of conformers could also be used for MCD, since "enantiomeric" structures present identically in MCD spectra.
doi:10.3390/sym14061108 fatcat:jgrtljkimfehje23k5g6lxa7c4