Yazar "Parlak, Cemal" için Fen Fakültesi listeleme
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FT-IR Spectroscopic Study on Some Hofmann-TdType Complexes: Ni(4-Phenylpyridine)2M(CN)4(M = Cd or Hg)
New Hofmann- Tdtype complexes in the form of Ni(4-Phenylpyridine)2M(CN)4(M = Cd or Hg) were prepared in powder form and their infrared spectra are reported in the region of 4000200 cm-1. From the spectral findings, these ... -
FT-IR, NMR SPECTROSCOPIC and QUANTUM MECHANICAL INVESTIGATIONS OF TWO FERROCENE DERIVATIVES
Alver, Özgür; Parlak, Cemal (Chem Soc Ethiopia, 2017)New ferrocene derivatives as N-(3-piperidin-1-ylpropyl) ferrocenamide (Fc-3ppa) and N-( pyridine-3-ylmethyl) ferrocenamide (Fc-3pica) and structural investigations were carried out with H-1, C-13, DEPT 45 or 135, HETCOR, ... -
H-1 C-13 NMR and (n)J(CH) coupling constants investigation of 4-Phenylpyridine: A combined experimental and theoretical study
Alver, Özgür; Parlak, Cemal; Şenyel, Mustafa (Elsevier Science BV, 2007)Proton coupled and uncoupled C-13, H-1, DEPT, COSY and HETCOR NMR spectra of 4-Phenylpyridine (4-Phpy) have been reported for the first time except for its H-1 NMR spectrum. In order to provide a precise structural elucidation ... -
Interaction between doped C-60 fullerenes and piperazine-2,3,5,6-tetraone: DFT simulation
Alver, Özgür; Parlak, Cemal; Ramasami, Ponnadurai; Şenyel, Mustafa (Walter De Gruyter GMBH, 2018)Piperazine and tetraone-related compounds are widely used in the drug industry. Heteroatom-doped fullerenes are studied as new types of sensor devices, and medical applications are studied as drug delivery vehicles. In ... -
Interaction mechanisms and structural properties of B-, Si-doped C60 fullerenes with 1-formylpiperazine
Parlak, Cemal; Alver, Özgür; Ramasami, Ponnadurai (Walter De Gruyter GMBH, 2016)Piperazines and fullerene nanocages are versatile compounds. These are discussed in a wide range of academic work, especially in the field of medicine, and considered for various applications by the pharmaceutical industry. ... -
Interaction mechanisms and structural properties of MC19 (M = Si and Al) fullerenes with chlorophenylpiperazine isomers
Alver, Özgür; Bilge, Metin; Atar, Necip; Parlak, Cemal; Şenyel, Mustafa (Elsevier Science BV, 2017)A great deal of attention has been paid recently to the fullerene based complex systems for their possible applications as drug delivery vehicles and sensor applications. In the framework of this research, Si and Al-doped ... -
MC19 (M = B, Si, Al and Ga) fullerenes: Adsorption mechanisms of 1,4-diformylpiperazine
Alver, Özgür; Parlak, Cemal; Ramasami, Ponnadurai (Sage Publications Inc, 2018)Fullerenes and piperazines have been investigated, particularly, in the field of nanoscience and medicinal chemistry. In the present research, besides discussing structural and electronic properties, the most probable ... -
Molecular structure, NMR analyses, density functional theory and ab initio Hartree-Fock calculations of 4,4 '-diaminooctafluorobiphenyl
Parlak, Cemal; Alver, Özgür; Bağlayan, Özge; Şenyel, Mustafa (Elsevier Science BV, 2008)H-1 and F-19 MAS, C-13 and N-15 CP/MAS NMR and liquid phase NMR spectra of 4,4'-diaminooctafluorobiphenyl (DAOFB) have been reported for the first time. H-1, C-13 and N-15 NMR chemical shifts of DAOFB (C12H4F8N2) have been ... -
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 ... -
NMR determination of solvent dependent behavior and XRD structural properties of 4-carboxy phenylboronic acid: A DFT supported study
Dikmen, Gökhan; Alver, Özgür; Parlak, Cemal (Elsevier Science BV, 2018)Solvent dependent structural properties of 4-carboxy phenylboronic acid (4-cpba) were investigated by X-ray diffraction (XRD) and nuclear magnetic resonance (NMR) spectroscopic methods. The molecular structure and geometric ... -
Nmr Spectroscopic Study and Dft Calculations of Giao Nmr Shieldings and (1)J(Ch) Spin-Spin Coupling Constants of 1,9-Diaminononane
Alver, Özgür; Parlak, Cemal; Şenyel, Mustafa (Chem Soc Ethiopia, 2009)H-1, proton coupled and decoupled C-13, DEPT, HETCOR NMR spectra, the magnitude of one bond (1)J(CH) coupling constants and C-13 NMR spin-lattice relaxation time (T-1) of 1,9-diaminononane (danon, C9H22N2) have been reported ... -
NMR spectroscopic study and DFT calculations of GIAO NMR shieldings and 1JCH, spin-spin coupling constants of 1,9-diaminononane
Alver, Özgür; Parlak, Cemal; Şenyel, Mustafa (Chemical Society of Ethiopia, 2009)1H, proton coupled and decoupled l3C, DEPT, HETCOR NMR spectra, the magnitude of one bond 1Jch coupling constants and l3C NMR spin-lattice relaxation time (T1) of 1,9-diaminononane (danon, C9H22N2) have been reported for ... -
Nmr spectroscopic study and dft calculations of vibrational analyses, giao NMR shieldings and 'JCH, 'Jcc spin-spin coupling constants of 1,7-diaminoheptane
Alver, Özgür; Parlak, Cemal; Şenyel, Mustafa (2009)Vibrational frequencies and approximate mode descriptions of 1,7-diaminoheptane (dahp) have been determined via Becke-3-Lee-Yang-Parr (B3LYP) density functional method with 6-31G(d) basis set. 'H, proton coupled and uncoupled ... -
Nmr Spectroscopic Study and Dft Calculations of Vibrational Analyses, Giao Nmr Shieldings and (1)J(Ch), (1)J(Cc) Spin-Spin Coupling Constants of 1,7-Diaminoheptane
Alver, Özgür; Parlak, Cemal; Şenyel, Mustafa (Chem Soc Ethiopia, 2009)Vibrational frequencies and approximate mode descriptions of 1,7-diaminoheptane (dahp) have been determined via Becke-3-Lee-Yang-Parr (B3LYP) density functional method with 6-31G(d) basis set. H-1, proton coupled and ... -
Spectroscopic Investigations of 1,4-Dioxane Adsorbed on Bentonite From Anatolia
Alver, Özgür; Parlak, Cemal (2016)The adsorption of 1,4-dioxane on a natural bentonite sample from Ünye region of Turkey has been examined using infrared and solid state magic angle spinning nuclear magnetic resonance spectroscopic techniques. It was ... -
Synthesis and vibrational spectroscopic analysis of some Hofmann type clathrates
Parlak, Cemal; Şenyel, Mustafa (Pergamon-Elsevier Science LTD, 2011)New Hofmann type clathrates in the form of M(pp)(2)Ni(CN)(4)center dot 2G (where pp = 1-phenylpiperazine, G = 1,4-dioxane and M = Ni, Co or Cd) have been prepared in powder form and their FT-IR and FT-Raman spectra are ... -
Theoretical and experimental vibrational spectroscopic study of 3-piperidino-propylamine
Alver, Özgür; Parlak, Cemal; Şenyel, Mustafa (Elsevier Science BV, 2009)FT-IR and Raman spectra and the vibrational spectral assignments of 3-piperidino-propylamine (3-pipa) have been reported in the region of 4000-400 cm(-1) for the first time. The molecular geometry (bond lengths, bond angles ... -
Theoretical investigation of the derivatives of favipiravir (T-705) as potential drugs for Ebola virus
Rhyman, Lydia; Tursun, Mahir; Abdallah, Hassan H.; Choong, Yee Siew; Parlak, Cemal; Kharkar, Prashant; Ramasami, Ponnadurai (Walter De Gruyter GMBH, 2019)Density functional theory (DFT) method was used to compute the structural and vibrational parameters of favipiravir (T-705) in the gas phase. The functional used was B3LYP in conjuction with the 6-311++G(d,p) basis set. ... -
Theoretical Molecular Structure, Vibrational Frequencies and Nmr Investigations of 2-[(1E)-2-Aza-2-(5-Methyl(2-Pyridyl)Ethenyl)]-4-Bromobenzen-1-Ol
Bilge, Metin; Bircan, Hasan; Alver, Özgür; Parlak, Cemal (Chem Soc Ethiopia, 2012)The normal mode frequencies and corresponding vibrational assignments, H-1 and C-13 NMR chemical shifts and structural parameters (bond lengths, bond and dihedral angles) of 2-[(1E)-2-aza-2-(5-methyl(2-pyridyl)ethenyl)]- ... -
Vibrational investigation of 1-cyclopentylpiperazine: A combined experimental and theoretical study
Bağlayan, Özge; Keşan, Gürkan; Parlak, Cemal; Alver, Özgür; Şenyel, Mustafa (Science Press, 2014)FT-IR and Raman spectra of 1-cyclopentylpiperazine (1cppp) have been experimentally examined in the region of 4000-200 cm(-1). The optimized geometric parameters, conformational equilibria, normal mode frequencies and ...