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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MDPI AG
2022-05-01
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| Online Access: | https://www.mdpi.com/2073-8994/14/6/1108 |
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| author | Simone Ghidinelli Marco Fusè Giuseppe Mazzeo Sergio Abbate Giovanna Longhi |
| author_facet | Simone Ghidinelli Marco Fusè Giuseppe Mazzeo Sergio Abbate Giovanna Longhi |
| author_sort | Simone Ghidinelli |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-09T22:23:19Z |
| format | Article |
| id | doaj.art-9d29b8bf85f348ef8c35c6b21e7b0bd6 |
| institution | Directory Open Access Journal |
| issn | 2073-8994 |
| language | English |
| last_indexed | 2024-03-09T22:23:19Z |
| publishDate | 2022-05-01 |
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| record_format | Article |
| series | Symmetry |
| spelling | doaj.art-9d29b8bf85f348ef8c35c6b21e7b0bd62023-11-23T19:11:00ZengMDPI AGSymmetry2073-89942022-05-01146110810.3390/sym14061108MCD and Induced CD of a Tetraphenoxyperylene-Based Dye in Chiral Solvents: An Experimental and Computational StudySimone Ghidinelli0Marco Fusè1Giuseppe Mazzeo2Sergio Abbate3Giovanna Longhi4Dipartimento di Medicina Molecolare e Traslazionale, Università di Brescia, Viale Europa 11, 25123 Brescia, ItalyDipartimento di Medicina Molecolare e Traslazionale, Università di Brescia, Viale Europa 11, 25123 Brescia, ItalyDipartimento di Medicina Molecolare e Traslazionale, Università di Brescia, Viale Europa 11, 25123 Brescia, ItalyDipartimento di Medicina Molecolare e Traslazionale, Università di Brescia, Viale Europa 11, 25123 Brescia, ItalyDipartimento di Medicina Molecolare e Traslazionale, Università di Brescia, Viale Europa 11, 25123 Brescia, ItalyThe 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.https://www.mdpi.com/2073-8994/14/6/1108Lumogen Red 300circular dichroism (CD)magnetic circular dichroism (MCD)time-dependent density functional theory (TDDFT) calculationsB termchiral solvents |
| spellingShingle | Simone Ghidinelli Marco Fusè Giuseppe Mazzeo Sergio Abbate Giovanna Longhi MCD and Induced CD of a Tetraphenoxyperylene-Based Dye in Chiral Solvents: An Experimental and Computational Study Symmetry Lumogen Red 300 circular dichroism (CD) magnetic circular dichroism (MCD) time-dependent density functional theory (TDDFT) calculations B term chiral solvents |
| title | MCD and Induced CD of a Tetraphenoxyperylene-Based Dye in Chiral Solvents: An Experimental and Computational Study |
| title_full | MCD and Induced CD of a Tetraphenoxyperylene-Based Dye in Chiral Solvents: An Experimental and Computational Study |
| title_fullStr | MCD and Induced CD of a Tetraphenoxyperylene-Based Dye in Chiral Solvents: An Experimental and Computational Study |
| title_full_unstemmed | MCD and Induced CD of a Tetraphenoxyperylene-Based Dye in Chiral Solvents: An Experimental and Computational Study |
| title_short | MCD and Induced CD of a Tetraphenoxyperylene-Based Dye in Chiral Solvents: An Experimental and Computational Study |
| title_sort | mcd and induced cd of a tetraphenoxyperylene based dye in chiral solvents an experimental and computational study |
| topic | Lumogen Red 300 circular dichroism (CD) magnetic circular dichroism (MCD) time-dependent density functional theory (TDDFT) calculations B term chiral solvents |
| url | https://www.mdpi.com/2073-8994/14/6/1108 |
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