Study of absorption spectra of organic light emitting materials (triphenyl derivatives of amine): A quantum mechanical study

Authors

  • Jitendra Kumar Department of Applied Physics, School for Physical Sciences, Babasaheb Bhimrao Ambedkar University, Vidya Vihar, Rae Bareilly Road, Lucknow (U. P.) 226 025 INDIA Author
  • Ankur Trivedi Department of Applied Physics, School for Physical Sciences, Babasaheb Bhimrao Ambedkar University, Vidya Vihar, Rae Bareilly Road, Lucknow (U. P.) 226 025 INDIA Author
  • Deep Kumar Department of Applied Physics, School for Physical Sciences, Babasaheb Bhimrao Ambedkar University, Vidya Vihar, Rae Bareilly Road, Lucknow (U. P.) 226 025 INDIA Author
  • Devesh Kumar Department of Applied Physics, School for Physical Sciences, Babasaheb Bhimrao Ambedkar University, Vidya Vihar, Rae Bareilly Road, Lucknow (U. P.) 226 025 INDIA Author

Keywords:

OLED, TPBB, HOMO - LUMO, GAUSSIAN, TD-DFT

Abstract

Density Functional theory (DFT) is used to study the effect of substituents on the electronic and
optical property of organic light emitting material 1,3,5-tris(4’-(1’’- phenyl-benzimidazol-2’’-
yl)phenyl) amine (TPBB) and its derivatives (MeO-TPBB, Br-TPBB and Bu-TPBB ). TD –
DFT has been used to study the absorption spectra of these molecules. This study suggests that
each derivative of TPBB shows a UV – VIS spectra at slightly different frequency.

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Published

2017-06-30

Issue

Vol. 3 No. 1 (2017): International Journal of Science, Technology and Society

Section

Research Article

How to Cite

Study of absorption spectra of organic light emitting materials (triphenyl derivatives of amine): A quantum mechanical study. (2017). International Journal of Science, Technology & Society, 3(1), 22-26. https://ijsts.info/index.php/ijsts/article/view/30

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