Güncel Gönderiler: Makale Koleksiyonu
Toplam kayıt 1058, listelenen: 1021-1040
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Ft-Ir, Raman and Dft Studies on the Vibrational Spectra of 2,2-Bis(Aminoethoxy)Propane
(Chem Soc Ethiopia, 2016)Various structural forms and molecular structures of 2,2-bis(aminoethoxy) propane (baep) were examined both experimentally and theoretically including FT-IR and Raman spectroscopic methods. Among the possible structural ... -
Computational study on favipiravir adsorption onto undoped-and silicon-decorated C60 fullerenes
(World Scientific Publ Co Pte LTD, 2017)Adsorption and interaction mechanisms of fullerene-based complex systems for possible drug delivery vehicles have been at the center of increasing attention. In the scope of this work, the interaction mechanism between an ... -
Conformational and electronic properties of hydroquinone adsorption on C60 fullerenes: Doping atom, solvent and basis set effects
(Elsevier Science BV, 2018)Hydroquinone (HQ) is widely used as a reducing agent with well-known antioxidant properties. The interaction with pristine and doped fullerenes seems to have a promising research field particularly for the drug delivery ... -
The synthesis, molecular structure, FT-IR and XRD spectroscopic investigation of 4-[(2-{[(2-furylmethyl)imino]methyl}-4-methoxyphenoxy)methyl]benzonitrile: A comparative DFT study
(Elsevier Science BV, 2011)4-[(2-{[(2-Furylmethyl)imino]methyl}-4-methoxyphenoxy)methyl]benzonitrile, a novel Schiff base compound, was prepared for the first time and its structural and vibrational properties were studied both experimentally and ... -
Interaction mechanisms and structural properties of MC19 (M = Si and Al) fullerenes with chlorophenylpiperazine isomers
(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 ... -
Experimental and DFT studies on the vibrational spectra of 1H-indene-2-boronic acid
(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 ... -
Theoretical Molecular Structure, Vibrational Frequencies and Nmr Investigations of 2-[(1E)-2-Aza-2-(5-Methyl(2-Pyridyl)Ethenyl)]-4-Bromobenzen-1-Ol
(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)]- ... -
Interaction between doped C-60 fullerenes and piperazine-2,3,5,6-tetraone: DFT simulation
(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 ... -
Structure analysis and spectroscopic characterization of 2-Fluoro-3-Methylpyridine-5-Boronic Acid with experimental (FT-IR, Raman, NMR and XRD) techniques and quantum chemical calculations
(Elsevier Science BV, 2016)Possible stable conformers, geometrical molecular structures, vibrational properties as well as band assignments, nuclear magnetic shielding tensors of 2-Fluoro-3-Methylpyridine-5-Boronic Acid (2F3MP5BA) were studied ... -
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
(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 ... -
Theoretical and experimental vibrational spectroscopic study of 3-piperidino-propylamine
(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 ... -
Fourier Transform Infrared, Solid-State Nuclear Magnetic Resonance, and X-Ray Diffraction Studies of Natural and Acid-Treated Bentonites from Turkey
(Taylor & Francis Inc, 2013)The Fourier transform infrared (FT-IR) technique is widely used to distinguish structural properties and to derive information about structural changes following the chemical modification of clays in different conditions. ... -
Nmr Spectroscopic Study and Dft Calculations of Giao Nmr Shieldings and (1)J(Ch) Spin-Spin Coupling Constants of 1,9-Diaminononane
(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 ... -
Vibrational Spectroscopic Investigation of Some Hofmann-T-d Type Complexes: Ni(1-Phenylpiperazine)(2)M(CN)(4) (M = Cd or Hg)
(Chem Soc Pakistan, 2009)New Hofmann-T-d type complexes in the form of Ni(PP)(2)M(CN)(4) (where pp = I-Phenylpiperazine and M = Cd or Hg) have been prepared in powder form and their infrared (4000-100 cm(-1)) and Raman (2800-1650 cm(-1)) spectra ... -
Influence of acid treatment on structure of clinoptilolite tuff and its adsorption of methane
(Springer, 2015)This study presents the results of the methane adsorption properties of clinoptilolite tuff from Bigadic, Turkey and that of acid treated forms at 273 and 293 K up to 100 kPa using volumetric apparatus. In order to assess ... -
Acid treated mordenites as adsorbents of C2H4 and H-2 gases
(Elsevier Science BV, 2017)In this study, a mordenite-rich tuff (M) from the Sile region (NW Turkey) was treated with HNO3 and H2SO4 at various concentrations (1.0, 3.0 and 5.0 M) at 80 degrees C for 3 h. The adsorption properties of ethylene (C2H4) ... -
Ethylene Adsorption on Acid-treated Clay Minerals
(Multi-Science Publ Co LTD, 2012)The adsorption of ethylene (C2H4) on five clay minerals (sepiolite, two kaolinites and two bentonites) and on forms treated with 1 M HCl solution (SH, K1H, K2H, B1H and B2H) was investigated. Adsorption isotherms for ... -
Hydrogen adsorption on natural and sulphuric acid treated sepiolite and bentonite
(Pergamon-Elsevier Science LTD, 2018)In this study, hydrogen (H-2) adsorption on sepiolite and bentonite and those of acid treated forms were studied at 77 K using volumetric apparatus up to 100 kPa. Both clay minerals were treated with 100 ml of 0.5, 1.0, ... -
DFT, FT-Raman, and FT-IR investigations of 1-cyclopropylpiperazine
(Maik Nauka/Interperiodica/Springer, 2013)FT-IR and FT-Raman spectra of 1-cyclopropylpiperazine (1cppp) are experimentally examined in the range 4000-200 cm(-1). The optimized geometric parameters, conformational equilibria, normal mode frequencies and corresponding ... -
Vibrational spectroscopic investigation of methyl(5-[2-thienylcarbonyl]-1H-benzimidazol-2-yl: A comparative density functional study
(Maik Nauka/Interperiodica/Springer, 2014)FT-IR and Raman spectra of methyl(5-[2-thienylcarbonyl]-1H-benzimidazol-2-yl (nocodazole) are experimentally examined in the region of 4000-400 cm(-1). The optimized geometric parameters, conformational equilibria, normal ...
