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

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, be...

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Bibliographic Details
Main Authors: Simone Ghidinelli, Marco Fusè, Giuseppe Mazzeo, Sergio Abbate, Giovanna Longhi
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:Symmetry
Subjects:
Online Access:https://www.mdpi.com/2073-8994/14/6/1108
Description
Summary: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 calculations; 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.
ISSN:2073-8994