Exchange interaction in short-lived flavine adenine dinucleotide biradical in aqueous solution revisited by CIDNP (chemically induced dynamic nuclear polarization) and nuclear magnetic relaxation dispersion

Zhukov, Ivan V.; Kiryutin, Alexey S.; Panov, Mikhail S.; Fishman, Natalya N.; Morozova, Olga B.; Lukzen, Nikita N.; Ivanov, Konstantin L.; Vieth, Hans-Martin; Sagdeev, Renad Z.; Yurkovskaya, Alexandra V.

doi:https://doi.org/10.5194/mr-2-139-2021

Articles | Volume 2, issue 1

https://doi.org/10.5194/mr-2-139-2021

© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.

Special issue:

Robert Kaptein Festschrift

https://doi.org/10.5194/mr-2-139-2021

© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.

Articles | Volume 2, issue 1

Research article

|

13 Apr 2021

Research article |

| 13 Apr 2021

Exchange interaction in short-lived flavine adenine dinucleotide biradical in aqueous solution revisited by CIDNP (chemically induced dynamic nuclear polarization) and nuclear magnetic relaxation dispersion

Ivan V. Zhukov, Alexey S. Kiryutin, Mikhail S. Panov, Natalya N. Fishman, Olga B. Morozova, Nikita N. Lukzen, Konstantin L. Ivanov, Hans-Martin Vieth, Renad Z. Sagdeev, and Alexandra V. Yurkovskaya

Data sets

Data for "Exchange interaction in FAD biradical" I. V. Zhukov, A. S. Kiryutin, M. S. Panov, N. N. Fishman, O. B. Morozova, N. N. Lukzen, K. L. Ivanov, H.-M. Vieth, R. Z. Sagdeev, and A. V. Yurkovskaya https://doi.org/10.5281/zenodo.4680209

Model code and software

CIDNP field dependence simulation program for flexible biradicals N. Lukzen and K. Ivanov https://doi.org/10.5281/zenodo.4680150

Short summary

We report data on nuclear polarization formed in photoreaction of intramolecular electron transfer from adenine to flavin that was revealed several years ago by R. Kaptein by CIDNP. The question of whether one or two types of biradicals are formed stays unresolved. This work clarified the problem and confirmed that single common emissive maximum in magnetic field dependence of CIDNP may originate from single level crossing of short-lived biradical and that the FAD molecule has a compact shape.