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Coordination Geometrical Effect on Ligand-to-Metal Charge Transfer-Dependent Energy Transfer Processes of Luminescent Eu(III) Complexes

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Title: Coordination Geometrical Effect on Ligand-to-Metal Charge Transfer-Dependent Energy Transfer Processes of Luminescent Eu(III) Complexes
Authors: da Rosa, Pedro Paulo Ferreira Browse this author
Miyazaki, Shiori Browse this author
Sakamoto, Haruna Browse this author
Kitagawa, Yuichi Browse this author →KAKEN DB
Miyata, Kiyoshi Browse this author
Akama, Tomoko Browse this author
Kobayashi, Masato Browse this author
Fushimi, Koji Browse this author →KAKEN DB
Onda, Ken Browse this author
Taketsugu, Tetsuya Browse this author
Hasegawa, Yasuchika Browse this author →KAKEN DB
Keywords: Coordination geometry
Issue Date: 14-Jan-2021
Publisher: American Chemical Society
Journal Title: Journal of physical chemistry A
Volume: 125
Issue: 1
Start Page: 209
End Page: 217
Publisher DOI: 10.1021/acs.jpca.0c09337
Abstract: Photophysical properties of europium (Eu(III)) complexes are affected by ligand-to-metal charge transfer (LMCT) states. Two luminescent Eu(III) complexes with three tetramethylheptadionates (tmh) and pyridine (py), [Eu(tmh)(3)(py)(1)] (seven-coordinated monocapped-octahedral structure) and [Eu(tmh)(3)(py)(2)] (eight-coordinated square antiprismatic structure), were synthesized for geometrical-induced LMCT level control. Distances between Eu(III) and oxygen atoms of tmh ligands were estimated using single-crystal X-ray analyses. The contribution percentages of pi-4f mixing in HOMO and LUMO at the optimized structure in the ground state were calculated using DFT (LC-BLYP). The Eu-O distances and their pi-4f mixed orbitals affect the energy level of LMCT states in Eu(III) complexes. The LMCT energy level of an eight-coordinated Eu(III) complex was higher than that of a seven-coordinated Eu(III) complex. The energy transfer processes between LMCT and Eu(III) ion were investigated using temperature-dependent and time-resolved emission lifetime measurements of D-5(0) -> F-7(J) transitions of Eu(III) ions. In this study, the LMCT-dependent energy transfer processes of seven- and eight-coordinated Eu(III) complexes are demonstrated for the first time.
Rights: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of physical chemistry A, copyright c American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see
Type: article (author version)
Appears in Collections:工学院・工学研究院 (Graduate School of Engineering / Faculty of Engineering) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 長谷川 靖哉

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