Mapping 13C hyperfine couplings and exchange interactions in short-lived charge separated states of rigid donor-bridge-acceptor dyads

Ivan Zhukov, Natalya Fishman, Alexey Kiryutin, Nikita Lukzen, Ulrich E. Steiner, Hans Martin Vieth, Julian Schäfer, Christoph Lambert, Alexandra Yurkovskaya

Research output: Contribution to journalArticlepeer-review

Abstract

A detailed experimental study on reversible photo-induced intramolecular charge separation is presented based on nuclear magnetic resonance detection of chemically induced dynamic nuclear polarization. From variation of such polarization with the external magnetic field, the coupling constants of isotropic and anisotropic hyperfine interactions at individual 13C sites are measured in the short-lived charge separated state of dyad molecules composed of donor-bridge-acceptor parts. The objects of study were rigid donor-bridge-acceptor dyads, consisting of triarylamine as a donor, naphthalene diimide as an acceptor, and a meta-conjugated diethynylbenzene fragment as a bridge. By systematic variation of side groups in the bridging moiety, their influence on the electron withdrawing strength is traced. In combination with similar data for the 1H positions obtained previously for the same compounds [I. Zhukov et al., J. Chem. Phys. 152, 014203 (2020)], our results provide a reliable basis for the determination of the spin density distribution in the charge separated state of such dyads.

Original languageEnglish
Article number224201
JournalJournal of Chemical Physics
Volume155
Issue number22
DOIs
Publication statusPublished - 14 Dec 2021

OECD FOS+WOS

  • 1.03 PHYSICAL SCIENCES AND ASTRONOMY
  • 1.04 CHEMICAL SCIENCES

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