Browsing by Author "Unsalan, O."

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Infrared and Raman spectra, vibrational assignment, NBO analysis and DFT calculations of 6-aminoflavone

Erdogdu, Y.; Unsalan, O.; Amalanathan, M.; Joe, I. Hubert (ELSEVIER SCIENCE BV, 2010)

In this study, the experimental and theoretical study on the FT-infrared and FT-Raman spectra of 6-aminoflavone (6AF) are presented. The FT-IR (4000-400 cm(-1)) and FT-Raman (3500-50 cm(-1)) spectral measurements of solid ...
Structural conformations and vibrational spectral study of chloroflavone with density functional theoretical simulations

Erdogdu, Y.; Unsalan, O.; Sajan, D.; Gulluoglu, M. T. (PERGAMON-ELSEVIER SCIENCE LTD, 2010)

NIR-FT Raman and FT-IR spectra of 6-chloroflavone were recorded and analyzed. The vibrational wavenumber of the compound have been computed using B3LYP/6-31++G(d,p) level to derive the equilibrium geometry, conformational ...
Vibrational (FT-IR and FT-Raman) spectral investigations of 7-aminoflavone with density functional theoretical simulations

Erdogdu, Y.; Dereli, O.; Sajan, D.; Joseph, L.; Unsalan, O.; Gulluoglu, M. T. (TAYLOR & FRANCIS LTD, 2012)

FT-Raman and FT-IR spectra of the 7-aminoflavone have been recorded and analysed. The detailed interpretation of the vibrational spectra has been carried out with the aid of normal coordinate analysis following the scaled ...