Abstract
Conversion of the sunlight into chemical energy is considered to be one of the most important and fundamental chemical reactions in nature. A broad variety of artificial photosynthetic systems based on dyads, triads and up to pentads involving electron donor and acceptor moieties have been designed and synthesized in order to investigate artificial photoinduced energy and electron transfer processes. In this work, we discuss a series of computational studies that involves the photoinduced charge separation in metal-cluster encapsulated triphenylamine-[80]fullerenes,[1] in a transition-metal complex linked to a fullerene moiety,[2] in an all-fullerene hetero-dumbbell formed by two fullerene units, namely C60 as the electron acceptor component and endohedral Lu3N@C80 as the donor unit,[3] and in four akamptisomers of quinoxalinoporphyrin–[60]fullerene complex.[4] References [1] J. P. Martínez, M. Solà and A. A. Voityuk. Chem. Eur. J. 22 (2016) 17305. [2] A. J. Stasyuk, O. A. Stasyuk, S. Filippone, N. Martín, M. Solà and A. A. Voityuk. Chem. Eur. J., 24 (2018) 13020. [3] Manuscript in preparation [4] A. J. Stasyuk, O. A. Stasyuk, M. Solà and A. A. Voityuk. Chem. Eur. J., 2019, ASAP, DOI: 10.1002/chem.201804999 Figure 1
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