Spectroscopic investigations of 1-benzylpiperazine

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Spectroscopic investigations of 1-benzylpiperazine

Author:

C. YOHANNAN PANICKER1, HEMA TRESA VARGHESE2, SUNIL. B.3 and P.L. ANTO3

Affiliation:

¹Department of Physics, TKM College of Arts and Science, Kollam, Kerala (INDIA)
²Department of Physics, Fatima Mata Natinal College, Kollam, Kerala (INDIA)
³Department of Physics, St. Thomas's College, Thrissur, Kerala (INDIA)

Keyword:

FT-IR, FT-Raman, DFT calculations, piperazine

Issue Date:

April 2012

Abstract:

FT-IR and FT-Raman spectra of 1-benzylpiperazine were recorded and analyzed. The vibrational wavenumbers were computing at B3LYP/6-31G* level. The data obtained from theoretical calculations are used to assign vibrational bands obtained experimentally. The results indicate that B3LYP method is able to provide satisfactory results for predicting vibrational frequencies and structural parameters. The geometrical parameters, the predicted infrared intensities and Raman activities are reported

Pages:

ISSN:

2319-8052 (Online) - 2231-3478 (Print)

Source:

Vol.24 - No.1

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Copy the following to cite this article:

C. YOHANNAN PANICKER1, HEMA TRESA VARGHESE2, SUNIL. B.3 and P.L. ANTO3, "Spectroscopic investigations of 1-benzylpiperazine", Journal of Ultra Scientist of Physical Sciences, Volume 24, Issue 1, Page Number , 2016

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Available from: http://ultraphysicalsciences.org/paper/511/

This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License