Faculty Publications
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Item Blue light emitting materials for organic light emitting diodes: Experimental and simulation study(2012) Ulla, H.; Garudachari, B.; Satyanarayan, M.N.; Umesh, G.; Isloor, A.M.Novel blue light-emitting materials were designed by the substitution at the 4-position of 1,8-naphthalimide with electron-donating phenoxy group. The effect of molecular structure on the photophysical, electronic structure properties of the derivatives was explored by UV-visible absorption spectroscopy, photoluminescence spectroscopy, cyclic voltammetry and quantum chemical calculations. Both UV-visible absorption and emission spectra of derivatives indicate that the emission is in blue region. Electrochemical studies of the molecules revealed that they have low-lying energy levels of the lowest unoccupied molecular orbital (LUMO) and energy levels of the highest occupied molecular orbital (HOMO) indicating that the derivatives possess good electron-transporting or hole-blocking properties. To further reveal the electronic structure and the optical properties, the structural and electronic properties of the synthesized derivatives were calculated. These results indicate that molecules may offer potential as dopants as well as non-doping light-emitting materials with good electron injection capabilities for fabrication of blue organic light-emitting diodes. © 2012 IEEE.Item 2-Oxo-2-phenyl-ethyl benzoate(2011) Fun, H.-K.; Arshad, S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.In the title compound, C15H12O3, the terminal phenyl rings make a dihedral angle of 86.09 (9)° with each other. In the crystal, a pair of inter-molecular C - H?O hydrogen bonds link the mol-ecules, forming a dimer with an R2 2(10) ring motif.Item 2-(4-Bromo-phen-yl)-2-oxoethyl 4-meth-oxy-benzoate(2011) Fun, H.-K.; Loh, W.-S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.In the title compound, C16H13BrO4, the benzene rings are almost perpendicular to each other, making a dihedral angle of 84.07 (8)°. In the crystal, the mol-ecules are linked into chains along the a axis via inter-molecular C - H?O hydrogen bonds. A C - H?? inter-action is also observed.Item 2-(4-Bromo-phen-yl)-2-oxoethyl 4-bromo-benzoate(2011) Fun, H.-K.; Arshad, S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.The asymmetric unit of the title compound, C 15H 10Br 2O 3, consists of three crystallographically independent mol-ecules (A, B and C). The phenyl rings in mol-ecules A, B and C make dihedral angles of 6.1 (3), 3.2 (2) and 54.6 (2)° to each other, respectively. In the crystal, mol-ecules are linked into two-dimensional layers parallel to the ab plane by inter-molecular C - H?O hydrogen bonds. The crystal structure is further stabilized by C - H?? inter-actions. The studied crystal is an inversion twin, the refined ratio of the twin components being 0.128 (8):0.872 (8). © Fun et al. 2011.Item 2-(4-Chloro-phen-yl)-2-oxoethyl 2,4-di-fluoro-benzoate(2011) Fun, H.-K.; Arshad, S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.The asymmetric unit of title compound, C 15H 9C lF 2O 3, consists of two crystallographically independent mol-ecules. The dihedral angle between the two terminal benzene rings in one mol-ecule is 7.92 (14)°, while that in the other mol-ecule is 73.50 (16)°. In the crystal, mol-ecules are stacked into columns along the b axis by inter-molecular C - H?O hydrogen bonds. A ?-? inter-action with a centroid-to-centroid distance of 3.747 (2) Å further stabilizes the crystal structure. © Fun et al. 2011.Item 2-(4-Chloro-phen-yl)-2-oxoethyl benzoate(2011) Fun, H.-K.; Shahani, T.; Garudachari, B.; Isloor, A.M.; Satyganarayan, M.N.In the title compound, C 15H 11ClO3, the dihedral angle between the aromatic rings is 84.29 (8)°. In the crystal, mol-ecules are linked by weak C - H?? inter-actions. © Fun et al. 2011.Item 2-(4-Bromo-phen-yl)-2-oxoethyl 2-meth-oxy-benzoate(2011) Fun, H.-K.; Ching Kheng, C.K.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.In the title mol-ecule, C 16H 13BrO 4, the dihedral angle between the benzene rings is 85.92 (10)°. In the crystal, mol-ecules are linked into chains along [100] via weak inter-molecular C - H?O hydrogen bonds. © Fun et al. 2011.Item 2-(4-Bromo-phen-yl)-2-oxoethyl 4-chloro-benzoate(2011) Fun, H.-K.; Yeap, C.S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.The asymmetric unit of the title compound, C 15H 10BrClO 3, consists of three crystallographically independent mol-ecules. The dihedral angles between the benzene rings in the three mol-ecules are 68.8 (2), 0.7 (3) and 66.1 (2)°. In the crystal, the three independent mol-ecules are inter-connected by C - H?O hydrogen bonds, leading to isolated trimers. © Fun et al. 2011.Item 2-(4-Chloro-phen-yl)-2-oxoethyl 2-meth-oxy-benzoate(2011) Fun, H.-K.; Asik, S.I.J.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.In the title compound, C 16H 13ClO 4, the two benzene rings make a dihedral angle of 86.38 (8)°. In the crystal, inter-molecular C - H?O hydrogen bonds link the mol-ecules to form columns along the a axis. The mol-ecules are also stabilized by a ?-? stacking inter-action, with a centroid-centroid distance of 3.7793 (10) Å between the inversion-related benzene rings. © Fun et al. 2011.Item 2-(4-Chloro-phen-yl)-2-oxoethyl 3-(trifluoro-meth-yl)benzoate(2011) Fun, H.-K.; Loh, W.-S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.In the title compound, C 16H 10C lF 3O 3, the two benzene rings are slightly twisted from each other, with a dihedral angle of 15.50 (8)° between the planes. In the crystal, inter-molecular C - H?O hydrogen bonds link the mol-ecules into a layer parallel to the bc plane. © Fun et al. 2011.