2022
DOI: 10.26434/chemrxiv-2022-40c31-v3
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Electronic Communication and Photoinduced Intramolecular Electron Transfer in Hybrid Ru(II)-Re(I) Complexes Using Eigenstate-Based and Diabatic-State-Based Models

Abstract: Photoinduced intramolecular electron transfer (PIET) plays a vital role in the efficiency of electronics communication in transition metal complexes catalysing oxidation-reduction reaction. In this work, we theoretically calculate the rate of electron transfer(ET) in Ru(II)-BL-Ru(I) hybrid complexes; where BL is bridging ligand. A brief concept of ET in the basis of Marcus theory, which is extended to address a variety of different type of ET, is provided. We show that, in the case of Ru(II)-BL-Ru(I) complex, … Show more

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