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Theoretical Study of Origin of Triple Fluorescences of a Squaraine Dye, Bis[4‐( N , N ‐dimethylamino)phenyl]squaraine
Author(s) -
Mang Chaoyong,
Zhou Jun,
Liu Caiping,
Wu Kechen
Publication year - 2009
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.201090002
Subject(s) - chemistry , excited state , fluorescence , photochemistry , absorption (acoustics) , atomic physics , optics , physics
A new scheme of photo‐fluorescent emission origin, described as S 0 (relaxed state)→S n (Frank‐Condon state)→ S m (relaxed state)→S 0 (Frank‐Condon state), is presented to explain the multiple fluorescent emissions of squaraine dyes observed experimentally according to the configuration interaction singles calculations of relaxed excited states of a model compound, bis[4‐( N , N ‐dimethylamino)phenyl]squaraine (SQ). It is exhibited that all triple fluorescent emissions of SQ have their significant origin in vertical electron transitions of different relaxed excited states. In addition, some important absorption peaks appearing in higher energy region are most likely to be responsible for the higher energy band observed in solid states of many squaraine dyes.