Abstract
IR, Raman and ab-initio calcualtions of 2,6-dimethoxyphenol
C. Yohannan Panicker1*, H.T. Varghese2, K. Sajina1, A.V. Vaidyan
Abstract:
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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