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

Authors

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

Keywords:

UV-Vis, HF, PTIS

Abstract

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.

References

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International Journal of Scientific Research in Science, Engineering and Technology

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Published

2017-02-28

Issue

Volume 3, Issue 1, January-February-2017

Section

Research Articles

License

Copyright (c) IJSRSET

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

How to Cite

[1]
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.