Spectral Investigations and Ab Initio Hartree-Fock Study of P-Toluenesulfonyl Isocyanate

Authors(1) :-K. Parimala

The molecular structure, electronic spectrum (UV-Vis) and NMR spectra (13C and 1H) of p-Toluenesulfonyl isocyanate (PTIS) have been studied by Hartree-Fock (HF) method with 6-311++G** basis set. The present calculations reproduce the both experimental spectral characteristics of the PTIS.

Authors and Affiliations

K. Parimala
Department of Physics, Shrimati Indira Gandhi College, Trichy, Tamil Nadu, India

UV-Vis, HF, PTIS

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Publication Details

Published in : Volume 3 | Issue 1 | January-February 2017
Date of Publication : 2017-02-28
License:  This work is licensed under a Creative Commons Attribution 4.0 International License.
Page(s) : 117-119
Manuscript Number : IJSRSET173110
Publisher : Technoscience Academy

Print ISSN : 2395-1990, Online ISSN : 2394-4099

Cite This Article :

K. Parimala, " Spectral Investigations and Ab Initio Hartree-Fock Study of P-Toluenesulfonyl Isocyanate, International Journal of Scientific Research in Science, Engineering and Technology(IJSRSET), Print ISSN : 2395-1990, Online ISSN : 2394-4099, Volume 3, Issue 1, pp.117-119, January-February.2017
URL : http://ijsrset.com/IJSRSET173110

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