IR, Raman and Computational Study of 2-Ethyl-3-hydroxy-4-pyrone

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IR, Raman and Computational Study of 2-Ethyl-3-hydroxy-4-pyrone

C. Yohannan Panicker^¹*, Hema Tresa Varghese^², B. Harikumar^³ and Asha Chandran^³

¹Department of Physics, TKM College of Arts and Science, Kollam - 691 005 (India). ²Department of Physics, Fatima Mata National College, Kollam - 691 001 (India). ³Department of Chemistry, TKM College of Arts and Science, Kollam - 691 005 (India).

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ABSTRACT:

IR and Raman spectra of 2-Ethyl-3-hydroxy-4-pyrone were recorded and analyzed. The vibrational wavenumbers were computed using B3LYP/6-31G* basis. The data obtained from vibrational wavenumber calculations are used to assign vibrational bands obtained experimentally.

KEYWORDS:

Pyrone; IR; Raman; DFT calculations