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Linear free energy relationships of the 1H and 13C NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones
(Elsevier, 2009)
Linear free energy relationships (LFER) were applied to the 1H and 13C NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones. The correlation analysis for the substituent-induced chemical shifts ...
Effect of substituents on the 13 C chemical shifts of the azomethine carbon atom of N-(phenyl substituted) pyridine-4-aldimines
(Elsevier, 1999)
13 C chemical shifts of the azomethine carbon atom for N-(substituted phenyl)pyridine-4-aldimines, 4-Py-CH=N-C 6 H 4 -X, X having a wide range of substituent effects, have been determined in CDCl 3 solution. Exceptionally ...
Configurations in unsymmetrically N-methyl-N-substituted 2-phenylacetamides
(Elsevier, 1986)
The syntheses of a various N-methyl-N-substituted 2-phenylacetamides of the general formula PhCH 2 CON(CH 3 )R, wherein, R is ethyl, n-propyl, isopropyl and t-butyl group, were performed. The 1 H n.m.r. spectra of these ...
The predicted infrared spectrum of the hypermetallic molecule CaOCa in its lowest two electronic states (X)over-tilde(1)Sigma(+)(g); and (a)over-tilde(3)Sigma(+)(u)
(Elsevier, 2012)
This study of CaOCa is our third paper in a series on Group 2 alkaline-earth M2O hypermetallic oxides. As with our previous calculations for BeOBe and MgOMg, the ab initio calculations we report here show that CaOCa has a ...
Conformational analysis of edta-type rhodium(III) complexes with mixed five- and six-membered chelate rings. Structural analysis of conformational flexibility in rhodium(III) complexes containing 1,3-propanediamine-N,N′-diacetate-N,N′-di-3-propionate ligand
(Journal of Molecular Structure, 2006)
Conformational analysis of the three possible geometrical isomers: trans(O5), trans(O5O6) and trans(O6) of the sexidentate [Rh(1,3-pddadp)]- complex, and of the 10 possible isomers: four cis-equatorial, four cis-polar and ...
Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases
(Elsevier, 2021)
Two new Schiff bases derived from L-cysteine and substituted benzaldehyde were synthesized: the compound 1 [2-((2-chlorobenzylidene) amino)-3-mercaptopropanoic acid] and the compound 2 [3-mercapto-2-((2-methoxybenzylidene) ...
Molecular mechanics description of the stabilized effects in (ethylenediamine-N,N '-diacetato)chromate(III) dinuclear complex bridged by pyrazole-3,5-dicarboxylate: DFT calculations of magnetic properties
(Elsevier, 2009)
The mononuclear chromium(III) complex containing quadridentate ligand ethylenediamine-N,N'-diacetate (edda) and the corresponding dinuclear complex bridged by pyrazole-3,5-dicarboxylate (pzdc) are investigated by molecular ...
Binuclear biologically active Co(II) complexes with octazamacrocycle and aliphatic dicarboxylates
(Elsevier, 2012)
Four new cationic Co(II) complexes with N,N',N '',N'''-tetrakis (2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane (tpmc) and dianion of one the aliphatic dicarboxylic acids: butanedioic acid (succinic) acid = succH(2), ...
X-ray analyses, spectroscopic and magnetic properties of [Cu4(succinato)(tpmc)2](ClO4) 6·2C2H5OH·4H2O and [Cu2(C6H5COO)tpmc](ClO4) 3·0.5CH3OH·0.5H2O complexes
(Elsevier, 2008)
[Cu4(succinato)(tpmc)2](ClO4) 6 · 2H2O (tpmc = N,N′,N″,N‴-tetrakis-(2-pyridylmethyl)-1,4,8,11-tetraa zacyclotetradecane, succinato = dianion of succinic acid) has been prepared and characterized by elemental analysis, ...
Substituent efects on the carbon-13 chemical shifts in α-phenylpyridylacrylic acids
(Elsevier Science Publishers B.V., 1992)
The 13C N.M.R. spectra of some substituted α-phenylpyridylacrylic acids, α-phenyl, α-(3-pyrydyl) and α-(3-pyrydyl-N-oxide) cinnamic acids were determined in deuterated dimethyl sulfoxide (d6-DMSO). It has been shown that ...