Yazar "Yurdakul, Senay" için listeleme
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A combined experimental and theoretical study on vibrational spectra of 3-pyridyl methyl ketone
Çelik, Sibel; Alp, Meryem; Yurdakul, Senay (Taylor and Francis Inc., 2020)Using some spectral methods and density functional theory calculations, a complete structural, vibrational, thermodynamic, electronic, nonlinear optical properties of 3-pyridyl methyl ketone have been evaluated. The Fourier ... -
Crystal structure, vibrational spectroscopy, 1H NMR, and DFT analyses with antibacterial activity studies on silver nitrate complex of 5-iodoindole
Küçük, Ceyhun; Yurdakul, Senay; Özdemir, Namık; Erdem, Belgin (Elsevier, 2023)A novel complex silver nitrate of 5-iodindole molecule has been synthesized and characterized by single-crystal X-ray diffraction, infrared and Raman spectroscopy, and 1H NMR analysis. DFT calculations were performed using ... -
Experimental and DFT studies of 2-methyl-quinoxaline and its silver (I) complex: Non-covalent interaction analysis, antimicrobial activity and molecular docking study
Küçük, Ceyhun; Yurdakul, Senay; Çelik, Sibel; Erdem, Belgin (Elsevier B.V., 2022)The current study describes the characterization and vibrational spectra (elemental analysis, FT-IR, 1H NMR and UV–Visible absorption) of 2-Methyl-quinoxaline (2-MQ) and synthesized [Ag(2-Methyl-quinoxaline)(NO3)]. The ... -
Experimental and theoretical Fourier transform infrared and Raman spectroscopy, density functional theory, antibacterial activity and molecular docking studies on 1-(4-methoxyphenyl)-1H-imidazole
Küçük, Ceyhun; Yurdakul, Senay; Erdem, Belgin (Springer Science and Business Media Deutschland GmbH, 2022)Fourier transform infrared (FT-IR) and Raman (FT-Ra) spectra of 1-(4-methoxyphenyl)-1H-imidazole were recorded and analyzed. The vibrational wavenumbers of the structure were computed by using the density functional theory ... -
Molecular structure and vibrational spectra of 1,3-bis(4-piperidyl)propane by quantum chemical calculations
Erdogdu, Yusuf; Guellueoglu, M. Tahir; Yurdakul, Senay (ELSEVIER SCIENCE BV, 2008)The infrared and Raman spectra of 1,3-bis(4-piperidyl)propane molecule have been recorded between 4000-400 cm(-1) region and 3500-150 cm(-1) region, respectively. The vibrational frequencies of the molecule are investigated. ... -
Structural and spectroscopic characterization, electronic properties, and biological activity of the 4-(3-methoxyphenyl)piperazin-1-ium 4-(3-methoxyphenyl)piperazine-1-carboxylate monohydrate
Küçük, Ceyhun; Yurdakul, Senay; Özdemir, Namık; Erdem, Belgin (Springer Science and Business Media Deutschland GmbH, 2023)In this study, 4-(3-methoxyphenyl)piperazin-1-ium 4-(3-methoxyphenyl)piperazine-1-carboxylate monohydrate was synthesized and characterized by using spectroscopic (XRD, FT-IR, FT-Ra, and NMR) techniques. Theoretical ... -
Synthesis, characterization, thermal, DFT study, antioxidant and antimicrobial in vitro investigations of indazole and its Ag(I) complex
Küçük, Ceyhun; Çelik, Sibel; Yurdakul, Senay; Cotelı, Ebru; Erdem, Belgin (Elsevier Ltd, 2023)In this study, experimental and computational analyses were performed on free indazole and its silver metal complex. By using spectral methods, thermal studies, and analytical analysis, a new synthesized Ag(I) complex has ... -
Synthesis, crystal structure and spectroscopic studies of a new silver complex derived from [1-(3-pyridinyl) ethanone]
Çelik, Sibel; Atılgan, Abdullah; Alp, Meryem; Yurdakul, Senay; Demircioğlu, Zeynep; Özdemir, Namık; Büyükgüngor, Orhan (Elsevier, 2023)In this work, a new silver (I) complex, [Ag(3-pye)2(H2O)](NO3) where 3-pye=1-(3-pyridinyl) ethanone, has been synthesized and characterized by elemental analyses, FT-IR, fluorescence spectroscopy, and single X-ray ... -
Synthesis, spectroscopic characterization (FT-IR, PL), DFT calculations and antibacterial activity of silver(I) nitrate complex with nicotinaldehyde
Çelik, Sibel; Yurdakul, Senay; Erdem, Belgin (Elsevier B.V., 2021)The [Ag(3-Py-CHO)2NO3] complex, where (3-Py-CHO); Nicotinaldehyde (3-pyridinecarboxaldehyde), was synthesized and characterized by means of elemental analysis, various spectroscopic techniques (FT-IR, 1H NMR, PL) and DFT ... -
Theoretical and experimental study on metal(II) halide complexes of 1,3-bis(4-pyridyl)propane
Erdogdu, Yusuf; Guellueoglu, M. Tahir; Kurt, Mustafa; Yurdakul, Senay (SPRINGER, 2009)We report the results of detailed experimental and theoretical studies on the molecular structure and vibrational spectra of metal(II) halide complexes of 1,3-bis(4-pyridyl)propane [M(N2C13H14)X-2, where M represents Zn ... -
Vibrational spectroscopic and density functional study on 1,2,4-triazolo-[1,5-a]pyrimidine
Celik, Sibel; Badoglu, Serdar; Yurdakul, Senay (ELSEVIER SCIENCE BV, 2017)A combined theoretical and experimental investigation on a pharmaceutically important molecule 1,2,4-triazolo-[1,5-a]pyrimidine (TP) is presented in this study. Theoretical Density Functional Theory (DFT) study on the ...
