We synthesized bis-aryl
carbazole borane derivatives having emissive
properties and axial chirality. The resolution of a thermally stable
atropisomeric pair (compound
1b
), due to a B–C
chiral axis, was achieved by chiral stationary-phase high-performance
liquid chromatography (CSP-HPLC). Complete photophysical properties
of all compounds were measured and simulated by time-dependent density
functional theory (TD-DFT) calculations of the complete fluorescence
cycle, and circularly polarized luminescence spectra were obtained
for the atropisomers of compound
1b
, whose absolute configuration
was derived using a TD-DFT simulation of the electronic circular dichroism
(ECD) spectra.
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