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FT-IR and FT RAMAN SPECTRA of 4-Chloro 2 Methyl Benzonitrile

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FT-IR and FT RAMAN SPECTRA of 4-Chloro 2 Methyl Benzonitrile


Virendra Kumar Sharma



Virendra Kumar Sharma "FT-IR and FT RAMAN SPECTRA of 4-Chloro 2 Methyl Benzonitrile" Published in International Journal of Trend in Scientific Research and Development (ijtsrd), ISSN: 2456-6470, Volume-6 | Issue-3, April 2022, pp.11-14, URL: https://www.ijtsrd.com/papers/ijtsrd49470.pdf

FT-IR spectrum of 4-chloro 2 methyl benzonitrile in the region 400-4000 cm-1 has been recorded in KBr pellet technique with a Bruker IFS-66 Fourier transform spectrometer. FT-Raman spectrum in powder form has been recorded in the region 50-4000 cm"' on a Bruker IFS 66 optical bench with an FRA 106 Raman module attachment interfaced to a microcomputer. Geometry and vibrational wavenumbers were calculated using ab-initio calculations with HF method. The results were compared with experimental values. The observed FT-IR and FT-Raman vibrational frequencies were analyzed and assigned to different normal modes of the molecule. Most of the modes have wavenumbers in the expected range and the error obtained was, in general, very low. Using PEDs, the contributions were determined for different modes to each wave number. From the PED, it is apparent that the frequency corresponding to C=N stretching contains 88% contribution from the C=N stretching force constant and it mixes with C-CN stretching mode to the extent of 12%.

FT-IR, RAMAN, SPECTRA, 4-chloro 2 methyl benzonitrile, spectrometer, PED


IJTSRD49470
Volume-6 | Issue-3, April 2022
11-14
IJTSRD | www.ijtsrd.com | E-ISSN 2456-6470
Copyright © 2019 by author(s) and International Journal of Trend in Scientific Research and Development Journal. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (CC BY 4.0) (http://creativecommons.org/licenses/by/4.0)

International Journal of Trend in Scientific Research and Development - IJTSRD having online ISSN 2456-6470. IJTSRD is a leading Open Access, Peer-Reviewed International Journal which provides rapid publication of your research articles and aims to promote the theory and practice along with knowledge sharing between researchers, developers, engineers, students, and practitioners working in and around the world in many areas like Sciences, Technology, Innovation, Engineering, Agriculture, Management and many more and it is recommended by all Universities, review articles and short communications in all subjects. IJTSRD running an International Journal who are proving quality publication of peer reviewed and refereed international journals from diverse fields that emphasizes new research, development and their applications. IJTSRD provides an online access to exchange your research work, technical notes & surveying results among professionals throughout the world in e-journals. IJTSRD is a fastest growing and dynamic professional organization. The aim of this organization is to provide access not only to world class research resources, but through its professionals aim to bring in a significant transformation in the real of open access journals and online publishing.

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