Electronic State Mixing and Its Stimulated Raman Signature: A Case Study Using Free FMN and LOV Domain Proteins

Yingliang Liu; Alessandra Picchiotti; Aditya S. Chaudhari; Mateusz Rebarz; Miroslav Kloz; Martin Precek; Jakob Andreasson; Gustavo Fuertes

doi:10.1021/acs.jpclett.5c04115

journal article·2026-03-19

Electronic State Mixing and Its Stimulated Raman Signature: A Case Study Using Free FMN and LOV Domain Proteins

Yingliang Liu, Alessandra Picchiotti, Aditya S. Chaudhari, Mateusz Rebarz, Miroslav Kloz, Martin Precek, Jakob Andreasson, Gustavo Fuertes

The Journal of Physical Chemistry Letters· Volume 17· Issue 11

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Source abstract

Abstract

In our previous investigation of the excited-state Raman spectra of free flavin mononucleotide (FMN) and the light-oxygen-voltage (LOV) sensitive protein EL222, we observed intensity variations and a red shift in the N 1 –C 2 stretching modes within the S 1 state Raman spectroscopy of EL222. This phenomenon was attributed to potential S 1 /S 2 state mixing. However, the existence of T 1 /T 2 mixing in EL222 remained undetermined. To address this, we employed an avoided crossing model to simulate the influence of electronic state mixing on Raman spectroscopy. Our results indicate that mixing induces redshift or blueshift in the 0–1 Raman transition frequency and alters the equilibrium position, consequently affecting the corresponding Raman intensity. The analysis further suggests that S 1 /S 2 state mixing in EL222 occurs within the weak coupling regime. Additionally, experimental data revealed potential Raman signatures indicative of T 1 /T 2 mixing in EL222.

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OpenAlex topics: Spectroscopy and Quantum Chemical Studies · Photoreceptor and optogenetics research · Spectroscopy Techniques in Biomedical and Chemical Research

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institute of Biotechnology of the Czech Academy of Sciences, BIOCEV, Průmyslová 595, CZ-252 50 Vestec, Czechia

ELI Beamlines Facility, The Extreme Light Infrastructure ERIC, Za Radnicí 835, 25241 Dolní Břežany, Czech Republic

Fakultät für Mathematik, Informatik und Naturwissenschaften, Institut für Nanostruktur- und Festkörperphysik, Hamburg Advanced Research Centre for Bioorganic Chemistry (Harbor), Luruper Chaussee 149, DE-22761 Hamburg, Germany

Faculty of Science and Engineering, Groningen Biomolecular Sciences and Biotechnology, Membrane Enzymology Group

University of Groningen

Funding

European Regional Development Fund · Ministerstvo Školství, Mládeže a Telovýchovy · Akademie Ved Ceské Republiky · ELI Beamlines Facility, Extreme Light Infrastructure ERIC

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