Show simple item record

dc.contributor.authorCinar M.
dc.contributor.authorOzcan L.
dc.contributor.authorKarabacak M.
dc.contributor.authorErol I.
dc.date.accessioned20.04.201910:49:12
dc.date.accessioned2019-04-20T21:44:26Z
dc.date.available20.04.201910:49:12
dc.date.available2019-04-20T21:44:26Z
dc.date.issued2013
dc.identifier.issn1386-1425
dc.identifier.urihttps://dx.doi.org/10.1016/j.saa.2013.03.084
dc.identifier.urihttps://hdl.handle.net/20.500.12403/859
dc.description.abstractThree derivatives of styrene monomer, 4-chlorophenyl-4-vinylbenzyl ether (I), 4-methoxyphenyl-4-vinylbenzyl ether (II) and 4-ethylphenyl-4-vinylbenzyl ether (III) were synthesized. The synthesized two novel compounds (I and III) and one with undefined structural features were identified by experimental spectroscopic techniques and density functional approach. The optimized geometrical structure, vibrational and electronic transitions along with chemical shifts of those compounds were presented in this study. The vibrational spectra of investigated compounds were recorded in solid state with FT-IR spectrometry in the range of 4000-400 cm-1. The computational vibrational wavenumbers and also ground state equilibrium conformations were carried out by using density functional method with 6-311++G(d,p) basis set. Assignments of the fundamental vibrational modes were examined on the basis of the measured data and total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanical (SQM) method. Isotropic chemical shift of hydrogen and carbon nuclei were investigated via observed 1H and 13C NMR spectra in deuterated DMSO solution and predicted data applied with gauge-invariant atomic orbitals (GIAOs) method. The UV absorption spectra of monomers were observed in the range of 200-800 nm in ethanol, and time dependent DFT method was used to obtain the electronic properties. A detailed description of spectroscopic behaviors of compound was given based on the comparison of experimental measurements and theoretical computations. © 2013 Elsevier B.V. All rights reserved.en_US
dc.language.isoengen_US
dc.relation.isversionof10.1016/j.saa.2013.03.084
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBenzylic ether
dc.subjectFT-IR, NMR and UV spectra
dc.subjectQuantum chemical calculations
dc.subjectStyrene derivatives
dc.subjectBenzylic ethers
dc.subjectDensity-functional approach
dc.subjectDensity-functional methods
dc.subjectNmr and uv spectrum
dc.subjectQuantum chemical calculations
dc.subjectSpectroscopic characterization
dc.subjectStyrene derivatives
dc.subjectTotal energy distributions
dc.subjectChemical shift
dc.subjectConformations
dc.subjectDyes
dc.subjectElectronic properties
dc.subjectNuclear magnetic resonance spectroscopy
dc.subjectQuantum chemistry
dc.subjectQuantum theory
dc.subjectStyrene
dc.subjectUltraviolet spectroscopy
dc.subjectEthers
dc.subjectalcohol
dc.subjectbenzene
dc.subjectdimethyl sulfoxide
dc.subjectether derivative
dc.subjectstyrene
dc.subjectarticle
dc.subjectchemistry
dc.subjectconformation
dc.subjectelectron
dc.subjectinfrared spectroscopy
dc.subjectnuclear magnetic resonance spectroscopy
dc.subjectsolution and solubility
dc.subjectsynthesis
dc.subjectultraviolet spectrophotometry
dc.subjectvibration
dc.subjectBenzene
dc.subjectDimethyl Sulfoxide
dc.subjectElectrons
dc.subjectEthanol
dc.subjectEthers
dc.subjectMagnetic Resonance Spectroscopy
dc.subjectMolecular Conformation
dc.subjectSolutions
dc.subjectSpectrophotometry, Ultraviolet
dc.subjectSpectroscopy, Fourier Transform Infrared
dc.subjectStyrene
dc.subjectVibration
dc.subjectBenzylic ether
dc.subjectFT-IR, NMR and UV spectra
dc.subjectQuantum chemical calculations
dc.subjectStyrene derivatives
dc.subjectBenzylic ethers
dc.subjectDensity-functional approach
dc.subjectDensity-functional methods
dc.subjectNmr and uv spectrum
dc.subjectQuantum chemical calculations
dc.subjectSpectroscopic characterization
dc.subjectStyrene derivatives
dc.subjectTotal energy distributions
dc.subjectChemical shift
dc.subjectConformations
dc.subjectDyes
dc.subjectElectronic properties
dc.subjectNuclear magnetic resonance spectroscopy
dc.subjectQuantum chemistry
dc.subjectQuantum theory
dc.subjectStyrene
dc.subjectUltraviolet spectroscopy
dc.subjectEthers
dc.subjectalcohol
dc.subjectbenzene
dc.subjectdimethyl sulfoxide
dc.subjectether derivative
dc.subjectstyrene
dc.subjectarticle
dc.subjectchemistry
dc.subjectconformation
dc.subjectelectron
dc.subjectinfrared spectroscopy
dc.subjectnuclear magnetic resonance spectroscopy
dc.subjectsolution and solubility
dc.subjectsynthesis
dc.subjectultraviolet spectrophotometry
dc.subjectvibration
dc.subjectBenzene
dc.subjectDimethyl Sulfoxide
dc.subjectElectrons
dc.subjectEthanol
dc.subjectEthers
dc.subjectMagnetic Resonance Spectroscopy
dc.subjectMolecular Conformation
dc.subjectSolutions
dc.subjectSpectrophotometry, Ultraviolet
dc.subjectSpectroscopy, Fourier Transform Infrared
dc.subjectStyrene
dc.subjectVibration
dc.titleSynthesis, conformational and spectroscopic characterization of monomeric styrene derivatives having pendant p-substituted benzylic ether groupsen_US
dc.typearticleen_US
dc.relation.journalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopyen_US
dc.contributor.departmentBayburt Universityen_US
dc.contributor.authorID15764678000
dc.contributor.authorID57027897900
dc.contributor.authorID23060992300
dc.contributor.authorID7003661021
dc.identifier.volume111
dc.identifier.startpage97
dc.identifier.endpage103
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


Files in this item

FilesSizeFormatView

There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record