Density functional theory studies of new bipolar carbazole-benzothiazole: Electronic and vibrational properties

Article ID	Journal	Published Year	Pages	File Type
5394677	Computational and Theoretical Chemistry	2012	8 Pages	PDF

Abstract

âº A new bipolar carbazole-benzothiazole was studied using the density functional theory. âº Vibrational and electronic properties were investigated using the B3LYP/6-31Gâ level. âº Establishment of a great structure-properties relationship. âº Prediction of good candidates for appropriate optoelectronic applications.

Keywords

DFT Benzothiazole electronic structure Carbazole

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Density functional theory studies of new bipolar carbazole-benzothiazole: Electronic and vibrational properties

Authors

N. Bouzayen, B. Zaidi, A. Mabrouk, M. Chemek, K. Alimi,