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Chirality Assisted Triplet Electron Pairing
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.ORCID iD: 0000-0002-9217-2218
Weizmann Inst Sci, Dept Chem & Biol Phys, IL-76100 Rehovot, Israel..
2025 (English)In: The Journal of Physical Chemistry Letters, E-ISSN 1948-7185, Vol. 16, no 6, p. 1629-1633Article in journal (Refereed) Published
Abstract [en]

Redox processes that involve pairs of electrons are common in nature. Some of these reactions involve oxygen molecules. The understanding of the efficiency of the oxygen reduction reaction (ORR), for example, is a challenge since the reaction is spin forbidden and requires the transfer of two pairs of electrons. Past experimental and theoretical studies demonstrated that by controlling the spin of the transferred electrons, it is possible to overcome the barrier resulting from the spin mismatch between the reactants and the products. In other works, it was suggested that the reaction is enhanced if the two electrons in each pair have phase relation, namely, they possess the property of a triplet state. Since in nature electrons are transferred through chiral systems, we probed if chirality affects the formation of paired electrons with the same spin, namely, a triplet like state. The model calculations demonstrate that chirality enhances the probability of the formation of electron pairing in the triplet states, even at room temperature. This enhancement originates from breaking the spin degeneracy, enabled by chirality and interaction of the spins with vibrations.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2025. Vol. 16, no 6, p. 1629-1633
National Category
Condensed Matter Physics Theoretical Chemistry Physical Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-551433DOI: 10.1021/acs.jpclett.4c03734ISI: 001416083000001PubMedID: 39907703Scopus ID: 2-s2.0-85217063812OAI: oai:DiVA.org:uu-551433DiVA, id: diva2:1939859
Funder
Olle Engkvists stiftelseAvailable from: 2025-02-24 Created: 2025-02-24 Last updated: 2025-02-24Bibliographically approved

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