Spectroscopic Studies and Hartree-Fock Ab Initio Calculations of A 2.3-Diphenylpropenoic Acid Ester - C17H16O2

C. Yohannan Panicker¹*, Hema Tresa Varghese², Al-Shibia S. Deen¹, B.Harikumar³ and K. Raju⁴

¹Department of Physics, TKM College of Arts and Science, Kollam, Kerala (India).

²Department of Physics, Fatima Mata National College, Kollam, Kerala (India).

³Department of Chemistry, TKM College of Arts and Science, Kollam, Kerala (India).

⁴Department of Physics, University College, Trivandrum, Kerala (India).

DOI : http://dx.doi.org/10.13005/msri/050225

ABSTRACT:

FT-IR spectra of an ester of 2,3-diphenylpropenoic acid was recorded and analyzed. The vibrational wavenumbers of the compound have been computed using the Hartree-Fock/6-31G* basis and compared with the experimental values. Predicted infrared intensities and Raman activities are reported.

KEYWORDS: Hartree-Fock ab initio calculations; FT-IR; propenoic acid

Copy the following to cite this article: Panicker C. Y, Varghese H. T, Deen A. S, Harikumar B, Raju K. Spectroscopic Studies and Hartree-Fock Ab Initio Calculations of A 2.3-Diphenylpropenoic Acid Ester - C17H16O2. Mat.Sci.Res.India;5(2)

Copy the following to cite this URL: Panicker C. Y, Varghese H. T, Deen A. S, Harikumar B, Raju K. Spectroscopic Studies and Hartree-Fock Ab Initio Calculations of A 2.3-Diphenylpropenoic Acid Ester - C17H16O2. Mat.Sci.Res.India;5(2). Available from: http://www.materialsciencejournal.org/?p=2078

---

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