Experimental (XRD, FT-IR and UV–Vis) and theoretical modeling studies of Schiff base (E)-N′-((5-nitrothiophen-2-yl) methylene)-2-phenoxyaniline

H Tanak, AA Ağar, O Büyükgüngör - Spectrochimica Acta Part A: Molecular …, 2014‏ - Elsevier
The Schiff base compound (E)-N′-((5-nitrothiophen-2-yl) methylene)-2-phenoxyaniline has
been synthesized and characterized by IR, UV–Vis, and X-ray diffraction (XRD) methods …

Crystal Structure, Spectroscopy, and Quantum Chemical Studies of (E)-2-[(2-Chlorophenyl)iminomethyl]-4-trifluoromethoxyphenol

H Tanak - The Journal of Physical Chemistry A, 2011‏ - ACS Publications
The Schiff base compound (E)-2-[(2-chlorophenyl) iminomethyl]-4-trifluoromethoxyphenol
has been synthesized and characterized by IR, UV–vis, and X-ray single-crystal …

Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of p-amino acetanilide

JP Abraham, D Sajan, IH Joe, VS Jayakumar - Spectrochimica Acta Part A …, 2008‏ - Elsevier
The infrared absorption, Raman spectra and SERS spectra of p-amino acetanilide have
been analyzed with the aid of density functional theory calculations at B3LYP/6-311G (d, p) …

Nonlinear optical properties of some derivatives of salicylaldimine-based ligands

A Karakaş, A Elmali, H Ünver, I Svoboda - Journal of Molecular Structure, 2004‏ - Elsevier
A series of potential nonlinear optical (NLO) compounds,(–OH) and (–Cl) substituted
derivatives of salicylaldimine-based ligands 1–6 (Fig. 2), was designed and synthesized …

Crystal structure and spectroscopic characterization of (E)-2-(((4-bromo-2-(trifluoromethoxy) phenyl) imino) methyl)-4-nitrophenol: A combined experimental and …

Ö Tamer, N Dege, G Demirtaş, D Avcı, Y Atalay… - Journal of Molecular …, 2014‏ - Elsevier
A novel compound crystallizes in the triclinic space group P− 1 with a= 7.674 (4) Å, b=
12.584 (6) Å, c= 15.921 (6) Å, α= 89.62 (4)°, β= 84.34 (4)°, γ= 73.77 (4)° and Z= 4. This …

Mercury (II) ion-selective polymeric membrane sensor based on a recently synthesized Schiff base

MH Mashhadizadeh, I Sheikhshoaie - Talanta, 2003‏ - Elsevier
A new polyvinyl chloride (PVC) membrane electrode that is highly selective to Hg (II) ions
was prepared by using bis [5-((4-nitrophenyl) azo salicylaldehyde)](BNAS) as a suitable …

Spectroscopic (FT–IR and UV–Vis) and theoretical (HF and DFT) investigation of 2-Ethyl-N-[(5-nitrothiophene-2-yl) methylidene] aniline

Ü Ceylan, GÖ Tarı, H Gökce, E Ağar - Journal of Molecular Structure, 2016‏ - Elsevier
Crystal structure of the title compound, 2-Ethyl-N-[(5-nitrothiophene-2-yl) methylidene]
aniline, C 13 H 12 N 2 O 2 S, has been synthesized and characterized by FT–IR and UV–Vis …

Nonlinear optical properties, spectroscopic studies and structure of 2-hydroxy-3-methoxy-N-(2-chloro-benzyl)-benzaldehyde-imine

H Ünver, A Karakas, A Elmali - Journal of molecular structure, 2004‏ - Elsevier
2-Hydroxy-3-methoxy-N-(2-chloro-benzyl)-benzaldehyde-imine (C15H14O2NCl) has been
synthesized and then, characterized by elemental analysis, X-ray analysis, IR, 1H-NMR, and …

Experimental and molecular modeling investigation of (E)-N-{2-[(2-hydroxybenzylidene)amino]phenyl}benzenesulfonamide

N Özdemir, S Dayan, O Dayan, M Dinçer… - Molecular …, 2013‏ - Taylor & Francis
The Schiff base compound (E)-N-{2-[(2-hydroxybenzylidene) amino] phenyl}
benzenesulfonamide has been synthesized and characterized by IR, NMR and Uv-vis …

Phytochemical, spectroscopic and density functional theory study of Diospyrin, and non-bonding interactions of Diospyrin with atmospheric gases

Z Ullah, A Rauf, M Tariq, AA Tahir, K Ayub… - Spectrochimica Acta Part …, 2015‏ - Elsevier
Density functional theory (DFT) and phytochemical study of a natural product, Diospyrin
(DO) have been carried out. A suitable level of theory was developed, based on correlating …