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Incrementing Stokes Shifts through the Formation of 2,2'-Biimidazoldiium Salts
Shoji Matsumoto1, Mei Watanabe1, Motohiro Akazome1
1Department of Applied Chemistry and Biotechnology, Graduate School of Engineering , Chiba University , 1-33 Yayoicho , Inageku , Chiba 263-8522 , Japan.
Abstract:
The formation of biimidazoldiium structures by the introduction of methyl substituents on the N atoms at the 3 and 3' positions of 2,2'-biimidazoles led to increments in the Stokes shift of these structures. Based on time-dependent density functional theory (TDDFT) calculations, the imidazolium rings become distorted and the N atoms of the imidazolium rings underwent structural changes through sp2 to sp3 rehybridization in the excited states.
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