IR, Raman and ab-initio calcualtions of 2,6-dimethoxyphenol
1Department of Physics, 4Department of Chemistry, TKM College of Arts and Science, Kollam (India).
2Department of Physics, Fatima Mata National College, Kollam (India).
3Department of Chemistry, St. Stephen’s College, Pathanapuram (India).
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IR and Raman spectra of 2,6-dimethoxyphenol were recorded and analyzed. The vibrational waves 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; Raman; IR; methoxy
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