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Vibrational spectra and ab initio computations of sarcosinium oxalate monohydrate

  • Laser Methods in Chemistry, Biology, and Medicine
  • Published:
Laser Physics

Abstract

Single crystals of sarcosinium oxalate monohydrate (SOM) are grown by the slow-evaporation technique at ambient temperature, and vibrational spectroscopic analysis is carried out using NIR-FT Raman, FT-IR, and SERS spectra. The normal mode frequencies and corresponding vibrational analysis of SOM are examined theoretically using the Gaussian’98 set of quantum chemical codes. The two bands present in the SOM ν C=O region, clearly observed in the Raman spectrum, are assigned to “free” and “bonded” carbonyl groups with the hydrogen atom. Vibrational analysis indicates the presence of C-H—O hydrogen bonding interaction producing a blueshift of the C-H stretching frequency.

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Authors and Affiliations

  1. Department of Physics, Women’s Christian College, Nagercoil, Tamil Nadu, 629001, India

    V. Bena Jothy

  2. Department of Physics, Mar Ivanios College, Thiruvananthapuram, Kerala, 695015, India

    V. Bena Jothy, T. Vijayakumar, D. Sajan, V. S. Jayakumar & I. Hubert Joe

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  1. V. Bena Jothy
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  2. T. Vijayakumar
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  3. D. Sajan
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  4. V. S. Jayakumar
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  5. I. Hubert Joe
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Original Text © Astro, Ltd., 2006.

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Bena Jothy, V., Vijayakumar, T., Sajan, D. et al. Vibrational spectra and ab initio computations of sarcosinium oxalate monohydrate. Laser Phys. 16, 1242–1252 (2006). https://doi.org/10.1134/S1054660X06080135

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  • DOI: https://doi.org/10.1134/S1054660X06080135

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