Published in
Royal Society of Chemistry, Chemical Communications, 82(57), p. 10727-10730, 2021
DOI: 10.1039/d1cc05246b
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Orbital transitions: insight into energy transfer through an antenna for an organo-lanthanide complex
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Abstract
Including experimental work, WFT and DFT calculations employing a range of functionals were performed for two lanthanide complexes to investigate, in different phases, the frontier orbitals and the orbital transitions between singlet states.