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Incorporating two different chromophores onto a silicon atom: the crystal structure and photophysical properties of 9‐{4‐[(9,9‐dimethyl‐9 H ‐fluoren‐2‐yl)dimethylsilyl]phenyl}‐9 H ‐carbazole
Author(s) -
Lee AhRang,
Han WonSik
Publication year - 2015
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229615002624
Subject(s) - chromophore , carbazole , crystal structure , fluorene , crystallography , density functional theory , chemistry , crystal (programming language) , fluorescence , hydrogen bond , bifunctional , absorption spectroscopy , photochemistry , molecule , computational chemistry , polymer , organic chemistry , physics , quantum mechanics , programming language , catalysis , computer science
The crystal structure of the title bifunctional silicon‐bridged compound, C 35 H 31 NSi, (I), has been determined. The compound crystallizes in the centrosymmetric space group P 2 1 / c . In the crystal structure, the pairs of aryl rings in the two different chromophores, i.e. 9‐phenyl‐9 H ‐carbazole and 9,9‐dimethyl‐9 H ‐fluorene, are positioned orthogonally. In the crystal packing, no classical hydrogen bonding is observed. UV–Vis absorption and fluorescence emission spectra show that the central Si atom successfully breaks the electronic conjugation between the two different chromophores, and this was further analysed by density functional theory (DFT) calculations.