Validation of microscopic magnetochiral dichroism theory

Magnetochiral dichroism (MChD), a fascinating manifestation of the light-matter interaction characteristic for chiral systems under magnetic fields, has become a well-established optical phenomenon reported for many different materials. However, its interpretation remains essentially phenomenologica...

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Bibliographic Details
Published in:	Science advances Vol. 7; no. 17
Main Authors:	Atzori, M, Ludowieg, H D, Valentín-Pérez, Á, Cortijo, M, Breslavetz, I, Paillot, K, Rosa, P, Train, C, Autschbach, J, Hillard, E A, Rikken, G L J A
Format:	Journal Article
Language:	English
Published:	United States American Association for the Advancement of Science (AAAS) 21-04-2021 American Association for the Advancement of Science
Subjects:	Chemical Physics Chemical Sciences Condensed Matter Physics Material chemistry Physical Sciences SciAdv r-articles
Online Access:	Get full text
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Summary:	Magnetochiral dichroism (MChD), a fascinating manifestation of the light-matter interaction characteristic for chiral systems under magnetic fields, has become a well-established optical phenomenon reported for many different materials. However, its interpretation remains essentially phenomenological and qualitative, because the existing microscopic theory has not been quantitatively confirmed by confronting calculations based on this theory with experimental data. Here, we report the experimental low-temperature MChD spectra of two archetypal chiral paramagnetic crystals taken as model systems, tris(1,2-diaminoethane)nickel(II) and cobalt(II) nitrate, for light propagating parallel or perpendicular to the axis of the crystals, and the calculation of the MChD spectra for the Ni(II) derivative by state-of-the-art quantum chemical calculations. By incorporating vibronic coupling, we find good agreement between experiment and theory, which opens the way for MChD to develop into a powerful chiral spectroscopic tool and provide fundamental insights for the chemical design of new magnetochiral materials for technological applications.
Bibliography:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 Deceased. Present address: Departamento de Química Inorgánica, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, Ciudad Universitaria, E-28040 Madrid, Spain. These authors contributed equally to the work.
ISSN:	2375-2548 2375-2548
DOI:	10.1126/sciadv.abg2859