Experimental and theoretical studies on o-, m-and p-chlorobenzylideneaminoantipyrines

R Zhang, B Du, G Sun, Y Sun - Spectrochimica Acta Part A: Molecular and …, 2010 - Elsevier
Three antipyrine derivatives of o-, m-and p-chlorobenzylideneaminoantipyrines were
characterized by spectral techniques and density functional calculations. The optimized …

Experimental and density functional studies on 4-(3, 4-dihydroxybenzylideneamino) antipyrine, and 4-(2, 3, 4-trihydroxybenzylideneamino) antipyrine

YX Sun, QL Hao, WX Wei, ZX Yu, LD Lu… - Journal of Molecular …, 2009 - Elsevier
Two antipyrine derivates, 4-(3, 4-dihydroxybenzylideneamino) antipyrine (DHBAP), and 4-
(2, 3, 4-trihydroxybenzylideneamino) antipyrine (THBAP), are structurally similar Schiff …

Quantum mechanical, spectroscopic study (FT-IR and FT-Raman), NBO analysis, HOMO-LUMO, first order hyperpolarizability and docking studies of a non-steroidal …

S Sakthivel, T Alagesan, S Muthu, CS Abraham… - Journal of Molecular …, 2018 - Elsevier
Experimental and theoretical studies on the optimized geometrical structure, electronic and
vibrational characteristics of (+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid are …

Experimental and density functional studies on 4-(4-cyanobenzylideneamino) antipyrine

YX Sun, QL Hao, ZX Yu, WX Wei, LD Lu… - Molecular Physics, 2009 - Taylor & Francis
4-(4-cyanobenzylideneamino) antipyrine (CBAP) has been synthesized and characterized
by elemental analysis, FT-IR, UV-VIS and X-ray single crystal diffraction techniques …

Vibrational and electronic absorption spectroscopic profiling, natural hybrid orbital, charge transfer, electron localization function and molecular docking analysis on 3 …

CS Abraham, S Muthu, JC Prasana, BF Rizwana… - Journal of Molecular …, 2018 - Elsevier
Abstract The organic amine 3-Amino-3-(2-nitrophenyl) propionic acid (3-ANPPA) was
characterized by spectroscopic profiling employing FT-IR, FT-Raman and UV–Visible …

Experimental and theoretical studies on vibrational spectra of 4-(2-furanylmethyleneamino) antipyrine, 4-benzylideneaminoantipyrine and 4 …

YX Sun, QL Hao, ZX Yu, WJ Jiang, LD Lu… - Spectrochimica Acta Part …, 2009 - Elsevier
This work deals with the IR and Raman spectroscopy of 4-(2-furanylmethyleneamino)
antipyrine (FAP), 4-benzylideneaminoantipyrine (BAP) and 4-cinnamilideneaminoantipyrine …

Structural, proton-transfer, thermodynamic and nonlinear optical studies of (E)-2-((2-hydroxyphenyl) iminiomethyl) phenolate

Y Sun, Y Wang, Z Liu, C Huang, C Yu - Spectrochimica Acta Part A …, 2012 - Elsevier
Recently, the study of imine-bridged organics is interested in proton-transfer and photo-
responsive material fields. Herein, we make a investigation on the structural, thermodynamic …

Molecular structure, vibrational spectra and nonlinear optical properties of L-valine hydrobromide: DFT study

M Amalanathan, IH Joe, VK Rastogi - Journal of Molecular Structure, 2011 - Elsevier
FT-IR and Raman spectra of the nonlinear optical material l-Valine Hydrobromide crystal
have been recorded and analyzed. The equilibrium geometry, bonding features and the …

Vibrational spectroscopic study of o-, m-and p-hydroxybenzylideneaminoantipyrines

YX Sun, QL Hao, LD Lu, X Wang, XJ Yang - Spectrochimica Acta Part A …, 2010 - Elsevier
Three structurally similar antipyrine derivatives of o-hydroxybenzylideneaminoantipyrine (o-
HBAP), m-hydroxybenzylideneaminoantipyrine (m-HBAP) and p …

The molecular structure and vibrational spectra of N-(2, 2-diphenylacetyl)-N′-(naphthalen-1yl)-thiourea by Hartree–Fock and density functional methods

H Arslan, DS Mansuroglu, D VanDerveer… - Spectrochimica Acta Part …, 2009 - Elsevier
N-(2, 2-Diphenylacetyl)-N′-(naphthalen-1yl)-thiourea (PANT) has been synthesized and
characterized by elemental analysis, IR spectroscopy and 1H NMR spectroscopy. The …