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Vol. 29 No. 3 (2017): Vol 29 Issue 3

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INDO Calculations on Electronic Spectra of Organic Molecules

https://doi.org/10.14233/ajchem.2017.19951
Jamilur R. Ansari
Department of Physics, Singhania University, Jhunjhunu-333 515, India
W.H. Ansari
Gold Field Institute of Technology & Management, Faridabad-121 004, India
Ariba Khan
Department of Chemistry, Laxmi Devi Institute of Engineering & Technology, Alwar-301 028, India
M. Alauddin
Department of Physics, R.L. College, Nimaithi-847 101, India

Corresponding Author(s) : Jamilur R. Ansari

jransari.phd@gmail.com

Asian Journal of Chemistry, Vol. 29 No. 3 (2017): Vol 29 Issue 3

Abstract

Using the INDO method of Salahub and Sandorfy and bonding parameters of RINDO method after slightly modifying the weighting factor, the electronic spectra of 9,10-anthraquinone (AQ) and a few diamino anthraquinones (AQ’s), were calculated after including lowest thirty singly excited Hartree-Fock states in the configuration interaction process. The results are found to be good in agreement with experiment.

Keywords

INDO Excited states Configuration interaction Electronic transition Oscillator strength
Ansari, J. R., Ansari, W., Khan, A., & Alauddin, M. (2016). INDO Calculations on Electronic Spectra of Organic Molecules. Asian Journal of Chemistry, 29(3), 469–474. https://doi.org/10.14233/ajchem.2017.19951
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