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The lowest\u2010energy (longest\u2010wavelength) spin\u2010forbidden transition \n is studied for for [Ir(pbt)2(acac)] and [Re(CO)4(pbt)] and the complexes [W(CO)4(bpy)] and [Mo(CO)4(bpy)]. For the latter complexes, spin\u2010forbidden transitions from higher spin\u2010triplet levels are additionally analyzed. SO\u2010NTOs are compared with spin\u2010free NTOs for the transitions under consideration. The major assignment of a spin\u2010forbidden transition is obtained from the spin\u2010free NTO analysis, while the source of intensity of the electronic transition is revealed by the SO\u2010NTOs.<\/jats:p>","DOI":"10.1002\/open.202300291","type":"journal-article","created":{"date-parts":[[2024,3,5]],"date-time":"2024-03-05T10:58:14Z","timestamp":1709636294000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Triplet\u2010Singlet Emission of d\u2010Block Metal Complexes Characterized by Spin\u2010Orbit Natural Transition Orbitals"],"prefix":"10.1002","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3486-2253","authenticated-orcid":false,"given":"A.","family":"Zaichenko","sequence":"first","affiliation":[{"name":"Department of Chemistry University at Buffalo State University of New York  Buffalo NY 14260-3000 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9392-877X","authenticated-orcid":false,"given":"J.","family":"Autschbach","sequence":"additional","affiliation":[{"name":"Department of Chemistry University at Buffalo State University of New York  Buffalo NY 14260-3000 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2024,3,5]]},"reference":[{"key":"e_1_2_8_1_1","doi-asserted-by":"publisher","DOI":"10.1351\/pac196920010025"},{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2011.01.042"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aav9104"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2017.09.011"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1039\/C3CP55438D"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.9b02477"},{"key":"e_1_2_8_7_1","doi-asserted-by":"crossref","unstructured":"J. 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