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Geometric and Electronic Structures of Boron(III)‐Cored Dyes Tailored by Incorporation of Heteroatoms into Ligands
Author(s) -
Sun Lin,
Zhang Fan,
Wang Xinyang,
Qiu Feng,
Xue Minzhao,
Tregnago Giulia,
Cacialli Franco,
Osella Silvio,
Beljonne David,
Feng Xinliang
Publication year - 2015
Publication title -
chemistry – an asian journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.18
H-Index - 106
eISSN - 1861-471X
pISSN - 1861-4728
DOI - 10.1002/asia.201403272
Subject(s) - heteroatom , boron , chemistry , crystallography , computational chemistry , nanotechnology , materials science , organic chemistry , ring (chemistry)
Complexation of a boron atom with a series of bidentate heterocyclic ligands successfully gives rise to corresponding BF 2 ‐chelated heteroarenes, which could be considered as novel boron(III)‐cored dyes. These dye molecules exhibit planar structures and expanded π‐conjugated backbones due to the locked conformation with a boron center. The geometric and electronic structures of these BF 2 complexes can be tailored by embedding heteroatoms in the unique modes to form positional isomer and isoelectronic structures. The structure–property relationship is further elucidated by studying the photophysical properties, electrochemical behavior and quantum‐chemical calculations.