FT-IR AND RAMAN SPECTROSCOPY AND COMPUTATION OF 5-METHYLFURFURAL
Abstract
5-Methylfurfural was studied by vibrational (IR and Raman) spectroscopy and computational methods (DFT/B3LYP&MP2). FT-IR and FT-Raman spectra in KBr (at room temperature) were collected. Gaussian 09 and Spartan 08 programs were used for conformational analysis and calculations of molecular structure, torsional barrier, and vibrational spectral data for the 5MF molecule. The obtained results were used in the analysis of experimental vibrational spectra of 5MF molecule.
About the Authors
Y. . Erdogdu
Gazi University
Russian Federation
Russian Federation
T. R. Sertbakan
Ahi Evran University
Russian Federation
Russian Federation
M. T. Güllüoğlu
Harran University
Russian Federation
Russian Federation
Ş. . Yurdakul
Gazi University
Russian Federation
Russian Federation
A. . Güvenir
Ahi Evran University
Russian Federation
Russian Federation
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Review
For citations:
Erdogdu Y., Sertbakan T.R., Güllüoğlu M.T., Yurdakul Ş., Güvenir A. FT-IR AND RAMAN SPECTROSCOPY AND COMPUTATION OF 5-METHYLFURFURAL. Zhurnal Prikladnoii Spektroskopii. 2018;85(3):512(1)-512(8). (In Russ.)
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