Person: Badoğlu, Serdar
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Badoğlu
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Serdar
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Serdar BADOĞLU
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Publication An experimental vibrational spectroscopic and density functional theory computational study on 2,4‐dioxopyrimidine in solvation phase(Wiley, 2022-12-16) Serdar Badoğlu; Şenay Yurdakul; Badoğlu, SerdarAbstractIn this study, experimental ATR FTIR spectrum of 2,4‐dioxopyrimidine is recorded in solid phase. Its vibrational frequencies and modes were determined. Density functional theory calculations are employed to determine the ground‐state geometry and vibrational frequencies of the title compound. Possible dimeric forms of the molecule were investigated theoretically. A solvation phase experimental ATR FTIR spectrum is recorded in dimethyl sulfoxide (DMSO) solution and vibrational frequencies together with the modes are determined. Solvent effects are included in our calculations by using polarizable continuum model in DMSO. Solid phase and solvation phase experimental spectra are compared with each other.Publication Synthesis, theoretical and experimental spectroscopic properties, molecular docking, ADMET, and RDG analysis of copper(II) complex of dichloro(1,10-phenanthroline)(1,2,4-triazole-3-carboxcylic acid)(Springer Science and Business Media LLC, 2022-03-20) Sibel Celik; Serdar Badoğlu; Senay Yurdakul; Badoğlu, Serdar