Vibrational Analysis and Inverse Vibatrional Problem (IVP) of 4-Methyl Picolinic acid

Authors

  • J. Laxman Naik  Department of Physics, UCS, Osmania University, Hyderabad, Telangana, India
  • Ch. Sridhar  Govt. Degree College, Jangon, Kakatiya Univerity, Warangal, Telangana, India
  • Naresh. B  Department of Physics, UCS, Osmania University, Hyderabad, Telangana, India

Keywords:

4MPA, IR, RAMAN, NCA

Abstract

The FTIR and FT-Raman spectra of 4-Methyl Picolinic acid (4MPA) was recorded in the range 4000-400 cm-1 and 4000-50 cm-1. A normal coordinate analysis was carried out for all the vibrations of this molecule by solving inverse vibrational problem (IVP) using a 74-parameter modified valence force field employing overlay technique. This reproduced 45 observed frequencies of this molecule with an error of 10.23 cm-1 in the zero-order calculations. PED and eigen vectors calculated in the process were used to make unambiguous vibrational assignments of all the fundamentals.

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International Journal of Scientific Research in Science and Technology

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Published

2017-12-31

Issue

Volume 3, Issue 8, November-December-2017

Section

Research Articles

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

How to Cite

[1]
J. Laxman Naik, Ch. Sridhar, Naresh. B, " Vibrational Analysis and Inverse Vibatrional Problem (IVP) of 4-Methyl Picolinic acid, International Journal of Scientific Research in Science and Technology(IJSRST), Online ISSN : 2395-602X, Print ISSN : 2395-6011, Volume 3, Issue 8, pp.764-768, November-December-2017.