0000000000770885
AUTHOR
Santanu Bhattacharyya
Tuning of the electronic and photophysical properties of ladder-type quaterphenyl by selective methylene-bridge fluorination
The photophysics (spectral positions, band shapes, fluorescence quantum yields and lifetimes) of a series of fluorinated ladder type quaterphenyls L4P and L4P-Fn (n = 2, 4, 6) depend strongly on the degree and position of fluorine, despite the fact that substitution is not performed in the rings but only in methylene-bridges. This is driven by subtle differences in the molecular orbitals (MOs) participating in the electronic transitions, and in the vibronic pattern of the S0 and S1 electronic states as revealed by (TD)DFT calculations. Solid state spectra for n = 0, 2, 4 are similar to those of solution due to small intermolecular interactions as revealed by combined X-ray and (TD)DFT analy…
Tetrakis{[(p-dodecacarboranyl)methyl]stilbenyl}ethylene: A Luminescent Tetraphenylethylene (TPE) Core System
The synthesis and spectroscopic characterization of the first set of tetra(p-dodecacarborane-stilbeno)ethylenes (TDSE), substituted either with a methyl or phenyl group in the 2-position (Ccluster) of the ortho-carborane, are described. The complex absorption properties are elucidated by TD-DFT calculations, stressing the importance of through bond conjugation. Enhanced conjugation and restriction of the conformational space are identified as the main factors for boosted luminescence properties in solution compared to tetraphenylethylene (TPE) core, effectively reducing internal conversion (IC). IC is further reduced when aggregate suspensions of our compounds in water are formed, providing…
Photoluminescence in Carborane–Stilbene Triads : A Structural, Spectroscopic, and Computational Study
A set of triads in which o- and m-carborane clusters are bonded to two stilbene units through Ccluster -CH2 bonds was synthesized, and their structures were confirmed by X-ray diffraction. A study on the influence of the o- and m- isomers on the absorption and photoluminescence properties of the stilbene units in solution revealed no charge-transfer contributions in the lowest excited state, as confirmed by (TD)DFT calculations. The presence of one or two B-I groups in m-carborane derivatives does not affect the emission properties of the stilbenes in solution, probably due to the rather large distance between the iodo substituents and the fluorophore. Nevertheless, a significant redshift o…
CCDC 1569221: Experimental Crystal Structure Determination
Related Article: Justo Cabrera-González, Clara Viñas, Matti Haukka, Santanu Bhattacharyya, Johannes Gierschner, Rosario Núñez|2016|Chem.-Eur.J.|22|13588|doi:10.1002/chem.201601177
CCDC 1569224: Experimental Crystal Structure Determination
Related Article: Justo Cabrera-González, Clara Viñas, Matti Haukka, Santanu Bhattacharyya, Johannes Gierschner, Rosario Núñez|2016|Chem.-Eur.J.|22|13588|doi:10.1002/chem.201601177
CCDC 1569223: Experimental Crystal Structure Determination
Related Article: Justo Cabrera-González, Clara Viñas, Matti Haukka, Santanu Bhattacharyya, Johannes Gierschner, Rosario Núñez|2016|Chem.-Eur.J.|22|13588|doi:10.1002/chem.201601177
CCDC 1569222: Experimental Crystal Structure Determination
Related Article: Justo Cabrera-González, Clara Viñas, Matti Haukka, Santanu Bhattacharyya, Johannes Gierschner, Rosario Núñez|2016|Chem.-Eur.J.|22|13588|doi:10.1002/chem.201601177