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INDO Calculations on Electronic Spectra of Organic Molecules

Jamilur R. Ansari1,*, W.H. Ansari2,*, Ariba Khan3 and M. Alauddin4

1Department of Physics, Singhania University, Jhunjhunu-333 515, India

2Gold Field Institute of Technology & Management, Faridabad-121 004, India

3Department of Chemistry, Laxmi Devi Institute of Engineering & Technology, Alwar-301 028, India

4Department of Physics, R.L. College, Nimaithi-847 101, India

*Corresponding authors: E-mail: jransari.phd@gmail.com; drwhansari@gmail.com

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.

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