{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,19]],"date-time":"2026-08-19T18:03:57Z","timestamp":1787162637795,"version":"build-2736575974"},"reference-count":43,"publisher":"Royal Society of Chemistry (RSC)","issue":"35","license":[{"start":{"date-parts":[[2022,8,22]],"date-time":"2022-08-22T00:00:00Z","timestamp":1661126400000},"content-version":"vor","delay-in-days":233,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>\n                    A mixed valence tellurium bridged Fe(\n                    <jats:sc>ii<\/jats:sc>\n                    )\u2013Fe(\n                    <jats:sc>iii<\/jats:sc>\n                    ) complex was studied using correlated\n                    <jats:italic>ab initio<\/jats:italic>\n                    methods. Spectroscopic and magnetic properties have been rationalized considering coupling between spins and vibrations.\n                  <\/jats:p>","DOI":"10.1039\/d2cp02975h","type":"journal-article","created":{"date-parts":[[2022,8,22]],"date-time":"2022-08-22T12:21:16Z","timestamp":1661170876000},"page":"20760-20775","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["Magnetic exchange and valence delocalization in a mixed valence [Fe\n                    <sup>2+<\/sup>\n                    Fe\n                    <sup>3+<\/sup>\n                    Te\n                    <sub>2<\/sub>\n                    ]\n                    <sup>+<\/sup>\n                    complex: insights from theory and interpretations of magnetic and spectroscopic data"],"prefix":"10.1039","volume":"24","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4178-2187","authenticated-orcid":false,"given":"M.","family":"Atanasov","sequence":"first","affiliation":[{"name":"Department of Molecular Theory and Spectroscopy, Max-Planck-Institut f\u00fcr Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 M\u00fclheim an der Ruhr, Germany"},{"name":"Institute of General and Inorganic Chemistry, Bulgarian Academy of Science, Akad-Georgi Bontchev Str. Bl.11, 1113-Sofia, Bulgaria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6293-4867","authenticated-orcid":false,"given":"N.","family":"Spiller","sequence":"additional","affiliation":[{"name":"Department of Molecular Theory and Spectroscopy, Max-Planck-Institut f\u00fcr Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 M\u00fclheim an der Ruhr, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4691-0547","authenticated-orcid":false,"given":"F.","family":"Neese","sequence":"additional","affiliation":[{"name":"Department of Molecular Theory and Spectroscopy, Max-Planck-Institut f\u00fcr Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 M\u00fclheim an der Ruhr, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2022]]},"reference":[{"key":"D2CP02975H\/cit1\/1","doi-asserted-by":"crossref","first-page":"9477","DOI":"10.1021\/acscatal.8b01928","volume":"8","author":"Pantazis","year":"2018","journal-title":"ACS Catal."},{"key":"D2CP02975H\/cit2\/1","doi-asserted-by":"crossref","first-page":"5005","DOI":"10.1021\/acs.chemrev.9b00650","volume":"120","author":"Van Stappen","year":"2020","journal-title":"Chem. 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Soc."},{"key":"D2CP02975H\/cit16\/1","unstructured":"Trough out this work it was assumed, that during the process the Fe\u2013Fe distance does not change. This is justified to the extent of the constraints imposed by the crystal packing"},{"key":"D2CP02975H\/cit17\/1","doi-asserted-by":"crossref","first-page":"861","DOI":"10.1002\/jcc.23871","volume":"36","author":"Domingo","year":"2015","journal-title":"J. Comput. Chem."},{"key":"D2CP02975H\/cit18\/1","first-page":"e1327","volume":"8","author":"Neese","year":"2018","journal-title":"Wiley Interdiscip. Rev.:Comput. Mol. Sci."},{"key":"D2CP02975H\/cit19\/1","doi-asserted-by":"crossref","first-page":"224108(1\u201318)","DOI":"10.1063\/5.0004608","volume":"152","author":"Neese","year":"2020","journal-title":"J. Chem. Phys."},{"key":"D2CP02975H\/cit20\/1","doi-asserted-by":"crossref","first-page":"1525","DOI":"10.1002\/ejic.202000033","author":"Spiller","year":"2020","journal-title":"Eur. J. Inorg. 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