Yazar "Kaya, Mehmet Fatih" için Fizik Bölümü listeleme
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4-Mercaptophenylboronic acid: Conformation, FT-IR, Raman, OH stretching and theoretical studies
Parlak, Cemal; Ramasami, Ponnadurai; Tursun, Mahir; Rhyman, Lydia; Kaya, Mehmet Fatih; Atar, Necip; Şenyel, Mustafa (Pergamon-Elsevier Science LTD, 2015)4-Mercaptophenylboronic acid (4-mpba, C6H7BO2S) was investigated experimentally by vibrational spectroscopy. The molecular structure and spectroscopic parameters were studied by computational methods. The molecular dimer ... -
DFT, FT-IR and Raman investigations of 1-pyrrolidino-1-cyclopentene
Keşan, Gürkan; Kaya, Mehmet Fatih; Bilge, Metin; Alver, Özgür; Parlak, Cemal (Pergamon-Elsevier Science LTD, 2013)FT-IR and Raman spectra of 1-pyrrolidino-1-cyclopentene (1py1cp) were experimentally reported in the region of 4000-10 cm(-1) and 4000-100 cm(-1), respectively. The optimized geometric parameters, normal mode frequencies ... -
DFT, FT-Raman and FT-IR investigations of 1-cyclobutylpiperazine
Bağlayan, Özge; Kaya, Mehmet Fatih; Parlak, Cemal; Şenyel, Mustafa (Pergamon-Elsevier Science LTD, 2012)FT-IR and FT-Raman spectra of 1-cyclobutylpiperazine (1cbpp) have been experimentally reported in the region of 4000-10 cm(-1) and 4000-50 cm(-1), respectively. The optimized geometric parameters, conformational equilibria, ... -
Experimental and DFT studies on the vibrational spectra of 1H-indene-2-boronic acid
Alver, Özgür; Kaya, Mehmet Fatih (Elsevier Science BV, 2014)Stable conformers and geometrical molecular structures of 1H-indene-2-boronic acid (I-2B(OH)(2)) were studied experimentally and theoretically using FT-IR and FT-Raman spectroscopic methods. FT-IR and FT-Raman spectra were ... -
Infrared, Raman and density functional characterization and structural study of 2-Nitro-2-phenyl-propane-1,3-diol
Kaya, Mehmet Fatih; Bağlayan, Özge; Kaya, Esma Güneş; Alver, Özgür (Elsevier Science BV, 2017)Nitro compound and nitro derivatives are industrially important to produce rubber and agricultural chemicals. In this study, one of the promising derivatives of nitro compound 2-Nitro-2-phenyl-propane-1,3-diol (2NPP) is ... -
Molecular, vibrational and electronic structure of 4-bromo-2-halogenobenzaldehydes: Halogen and solvent effects
Fernandez, David; Parlak, Cemal; Bilge, Metin; Kaya, Mehmet Fatih; Tursun, Mahir; Keşan, Gürkan; Şenyel, Mustafa (Walter De Gruyter GMBH, 2017)The halogen and solvent effects on the structure of 4-bromo-2-halogenobenzaldehydes [C7H4BrXO; X = F (BFB), Cl (BCB) or Br (BBB)] were investigated by the density functional theory (DFT) and time-dependent density functional ... -
Structural characterization, solvent effects on nuclear magnetic shielding tensors, experimental and theoretical DFT studies on the vibrational and NMR spectra of 3-(acrylamido)phenylboronic acid
Alver, Özgür; Kaya, Mehmet Fatih; Dikmen, Gökhan (Elsevier Science BV, 2015)Structural elucidation of 3-(acrylamido)phenylboronic acid (C9H10BNO3) was carried out with H-1, C-3 and HETCOR NMR techniques. Solvent effects on nuclear magnetic shielding tensors were examined with deuterated dimethyl ... -
Vibrational spectra, DFT calculations, conformational stabilities and assignments of the fundamentals of the 1-butylpiperazine
Bağlayan, Özge; Kaya, Mehmet Fatih; Güneş, Esma; Şenyel, Mustafa (Elsevier Science BV, 2016)FT-IR and FT-Raman spectra of 1-butylpiperazine (1bpa) were experimentally recorded in the region of 4000-10 cm(-1) and 4000-100 cm(-1), respectively. The optimized geometric parameters, conformational equilibria, normal ... -
Vibrational spectroscopic investigation of 1-pyrrolidino-1-cyclohexene: A comparative density functional study
Kaya, Mehmet Fatih; Parlak, Cemal; Keşan, Gürkan; Alver, Özgür; Tursun, Mahir (Pergamon-Elsevier Science LTD, 2013)Infrared and Raman spectra of 1-pyrrolidino-1-cyclohexene (1 pych) have experimentally been reported in the region of 4000-100 cm(-1). The conformational analysis, optimized geometric parameters, normal mode frequencies ...