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Restriction of Intramolecular Motions: The General Mechanism behind Aggregation‐Induced Emission
Author(s) -
Leung Nelson L. C.,
Xie Ni,
Yuan Wangzhang,
Liu Yang,
Wu Qunyan,
Peng Qian,
Miao Qian,
Lam Jacky W. Y.,
Tang Ben Zhong
Publication year - 2014
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201403811
Subject(s) - intramolecular force , aggregation induced emission , mechanism (biology) , small molecule , molecule , chemistry , chemical physics , stereochemistry , computational chemistry , physics , optics , quantum mechanics , biochemistry , organic chemistry , fluorescence
Aggregation‐induced emission (AIE) has been harnessed in many systems through the principle of restriction of intramolecular rotations (RIR) based on mechanistic understanding from archetypal AIE molecules such as tetraphenylethene (TPE). However, as the family of AIE‐active molecules grows, the RIR model cannot fully explain some AIE phenomena. Here, we report a broadening of the AIE mechanism through analysis of 10,10′,11,11′‐tetrahydro‐5,5′‐bidibenzo[a,d][7]annulenylidene (THBDBA), and 5,5′‐bidibenzo[a,d][7]annulenylidene (BDBA). Analyses of the computational QM/MM model reveal that the novel mechanism behind the AIE of THBDBA and BDBA is the restriction of intramolecular vibration (RIV). A more generalized mechanistic understanding of AIE results by combining RIR and RIV into the principle of restriction of intramolecular motions (RIM).