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However, in molecular transition metal-based photosensitizers, there is a design tension between the creation of long-lived excited (triplet), e.g., metal-to-ligand charge transfer (3MLCT) states and the population of such states. Long-lived triplet states have low spin\u2013orbit coupling (SOC) and hence their population is low. Thus, a long-lived triplet state can be populated but inefficiently. If the SOC is increased, the triplet state population efficiency is improved\u2014coming at the cost of decreasing the lifetime. A promising strategy to isolate the triplet excited state away from the metal after intersystem crossing (ISC) involves the combination of transition metal complex and an organic donor\/acceptor group. Here, we elucidate the excited state branching processes in a series of Ru(II)-terpyridyl push\u2013pull triads by quantum chemical simulations. Scalar-relativistic time-dependent density theory simulations reveal that efficient ISC takes place along 1\/3MLCT gateway states. Subsequently, competitive electron transfer (ET) pathways involving the organic chromophore, i.e., 10-methylphenothiazinyl and the terpyridyl ligands are available. The kinetics of the underlying ET processes were investigated within the semiclassical Marcus picture and along efficient internal reaction coordinates that connect the respective photoredox intermediates. The key parameter that governs the population transfer away from the metal toward the organic chromophore either by means of ligand-to-ligand (3LLCT; weakly coupled) or intra-ligand charge transfer (3ILCT; strongly coupled) states was determined to be the magnitude of the involved electronic coupling.<\/jats:p>","DOI":"10.1063\/5.0156279","type":"journal-article","created":{"date-parts":[[2023,7,10]],"date-time":"2023-07-10T13:54:54Z","timestamp":1688997294000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":12,"title":["The three kingdoms\u2014Photoinduced electron transfer cascades controlled by electronic couplings"],"prefix":"10.1063","volume":"159","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4616-7151","authenticated-orcid":false,"given":"Guangjun","family":"Yang","sequence":"first","affiliation":[{"name":"Institute of Physical Chemistry, Friedrich Schiller University Jena 1 , Helmholtzweg 4, 07743 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7296-2856","authenticated-orcid":false,"given":"Georgina E.","family":"Shillito","sequence":"additional","affiliation":[{"name":"Institute of Physical Chemistry, Friedrich Schiller University Jena 1 , Helmholtzweg 4, 07743 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9247-2539","authenticated-orcid":false,"given":"Clara","family":"Zens","sequence":"additional","affiliation":[{"name":"Institute of Physical Chemistry, Friedrich Schiller University Jena 1 , Helmholtzweg 4, 07743 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2842-3537","authenticated-orcid":false,"given":"Benjamin","family":"Dietzek-Ivan\u0161i\u0107","sequence":"additional","affiliation":[{"name":"Institute of Physical Chemistry, Friedrich Schiller University Jena 1 , Helmholtzweg 4, 07743 Jena, Germany"},{"name":"Leibniz Institute of Photonic Technology (IPHT) e.V. 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