title: Energy Resonance Crossing Controls the Photoluminescence of Europium Antenna Probes.
abstract: The energy transfer pathways in lanthanide antenna probes cannot be comprehensively rationalized by the currently available models, and their elucidation remains to be a challenging task. On the basis of quantum-chemical ab initio calculations of representative europium antenna complexes, an innovative energy resonance model is proposed, which is controlled by an overall nonet-quintet intersystem crossing on the basis of spin-orbit coupling among the sublevels of the involved states.
authors.affiliation: Key Laboratory of Theoretical and Computational Photochemistry of Ministry of Education, Department of Chemistry, Beijing Normal University, Xin-wai-da-jie No. 19, Beijing, 100875, China.
authors.forename: Qiangqiang
authors.initials: Q
authors.lastname: Zhang
authors.affiliation: Key Laboratory of Theoretical and Computational Photochemistry of Ministry of Education, Department of Chemistry, Beijing Normal University, Xin-wai-da-jie No. 19, Beijing, 100875, China.
authors.forename: Liangliang
authors.initials: L
authors.lastname: Wu
authors.affiliation: Theoretical Chemistry, University of Cologne, Greinstrasse 4, 50939, Cologne, Germany.
authors.forename: Xiaoyan
authors.identifier: 0000-0002-3438-575X
authors.initials: X
authors.lastname: Cao
authors.affiliation: Key Laboratory of Theoretical and Computational Photochemistry of Ministry of Education, Department of Chemistry, Beijing Normal University, Xin-wai-da-jie No. 19, Beijing, 100875, China.
authors.forename: Xuebo
authors.identifier: 0000-0002-9814-9908
authors.initials: X
authors.lastname: Chen
authors.affiliation: Key Laboratory of Theoretical and Computational Photochemistry of Ministry of Education, Department of Chemistry, Beijing Normal University, Xin-wai-da-jie No. 19, Beijing, 100875, China.
authors.forename: Weihai
authors.identifier: 0000-0002-1668-465X
authors.initials: W
authors.lastname: Fang
authors.affiliation: Theoretical Chemistry, University of Cologne, Greinstrasse 4, 50939, Cologne, Germany.
authors.forename: Michael
authors.identifier: 0000-0002-0538-0837
authors.initials: M
authors.lastname: Dolg
keywords: ab initio calculations; antenna probes; energy transfer; luminescence; resonant crossing