Search results for " Spectra"
showing 10 items of 709 documents
Über polygermane
1980
Abstract A complete series of 5-membered heterocycles (Ph 2 Ge) 4 X with X = O, S, Se and Te has been prepared and investigated by mass spectra, 13 C NMR spectra and vibrational spectra. The 13 C signals of the phenyl groups in the compounds (Ph 2 Ge) 4 X were compared with the related values in the homocycle (Ph 2 Ge) 5 . Frequency values for the symmetrical and asymmetrical stretching vibrations of the units GeGeGe and GeXGe are given. The crystal structure of the compound (Ph 2 Ge) 4 S has been determined and refined to a R of 0.051. The 5-membered ring Ge 4 S exhibits envelope conformation.
Experimental and theoretical investigations of structural isomers of dichalcogenoimidodiphosphinate dimers: dichalcogenides or spirocyclic contact io…
2007
A synthetic protocol for the tert-butyl-substituted dichalcogenoimidodiphosphinates [Na(tmeda){(EPtBu(2))(2)N}] (3 a, E=S; 3 b, E=Se; 3 c, E=Te) has been developed. The one-electron oxidation of the sodium complexes [Na(tmeda){(EPR(2))(2)N}] with iodine produces a series of neutral dimers (EPR(2)NPR(2)E--)(2) (4 b, E=Se, R=iPr; 4 c, E=Te, R=iPr; 5 a, E=S, R=tBu; 5 b, E=Se, R=tBu; 5 c, E=Te, R=tBu). Attempts to prepare 4 a (E=S, R=iPr) in a similar manner produced a mixture including HN(SPiPr(2)). Compounds 4 b, 4 c and 5 a-c were characterised by multinuclear NMR spectra and by X-ray crystallography, which revealed two alternative structures for these dimeric molecules. The derivatives 4 b,…
Synthesis and low-frequency vibrational spectra of some halo- and pseudohalo-diphenylantimonates(V)
1976
Abstract The syntheses of diphenylantimonates(V) of the type M(I) [PH 2 XbX 4 ] (M(I) = PH 4 As; X = F, Cl, Br, N 3 , NCS; X 4 = Cl 3 Br, Cl 3 N 3 ) are described. Far-Ir spectra of these compounds and of previously synthesized M(I) [Ph 2 SbCl 3 X] species (M(I) = Me 4 N; X = Cl, Br, N 3 ; M(I) = Ph 4 As; X = NCS) are reported. Raman spectra of tetrafluoro and tetrachloro salts are also given. Vibrational data are interpreted in terms of the presence of solid of trans -Ph 2 SbX 4 - species and assignments of skeletal modes are suggested.
Structural study of ethyl 3-arylcarbamoyl-2,3-diazabicyclo[2.2.1]hept-5-ene-2-carboxylates: conformation and transmission of substituent effects acro…
2001
Nine new ethyl 3-arylcarbamoyl-2,3-diazabicyclo[2.2.1]hept-5-ene-2-carboxylates were prepared by a [4 + 2] cycloaddition and their FTIR, 1H, 13C and 15N NMR spectra were measured and assigned. Single crystals were grown for five compounds and their X-ray data were obtained. The electronic structure and the conformations were calculated by the semi-empirical AM1 method. Using correlations between the spectral, empirical and theoretical structural data, the transmission of substituent effects and the preferential conformation connected with the consecutive double nitrogen inversion and regarding the mutual orientation of NH and CO bonds were investigated. The results are compared with those f…
Copper complexes with sulfonamides: crystal structure and interaction with pUC18 plasmid and hydrogen peroxide
2003
N-Quinolin-8-yl-benzenesulfonamide (Hqbsa) and N-quinolin-8-yl-naftalenesulfonamide (Hqnsa) have been synthetized and physicochemically characterized, and used as ligands to coordinate copper complexes with ML2 stoichiometry. The structure of the compounds [Cu(qbsa)2]·DMF and [Cu(qnsa)2] has been determined by X-ray diffraction and both of them crystallize in the orthorhombic system. IR and ESR spectra of the complexes are discussed. The cleavage of pUCI8 by the copper complexes do not behave as chemical nucleases in the range of concentrations assayed.
(1Z,3Z)-3-[Quinolin-2(1H)-ylidene]-1-(quinolin-2-yl)prop-1-en-2-ol: An unexpected most stable tautomer of 1,3-bis(quinolin-2-yl)acetone
2009
Abstract 1 H, 13 C and 15 N NMR spectra reveal that CDCl 3 solution of 1,3-bis(quinolin-2-yl)acetone contains only ( 1Z , 3Z )-3-[quinolin-2(1 H )-ylidene]-1-(quinolin-2-yl)prop-1-en-2-ol. The proton transfer takes place between two basic centers of the molecule, which means that the process is an identity reaction by character. The situation is completely different from that detected in chloroform solution of 1,3-bis(pyridin-2-yl)acetone where three different tautomers are in equilibrium with each other. Although the proton transfers in both ( 1Z , 3Z )-3-[quinolin-2(1 H )-ylidene]-1-(quinolin-2-yl)prop-1-en-2-ol and ( 1Z , 3Z )-3-hydroxy-1-[quinolin-2(1 H )-ylidene-4-quinolin-2-yl]but-3-e…
Multicommutation-NIR determination of Hexythiazox in pesticide formulations.
2006
A multicommutated flow-system was designed in order to increase analytical throughput and for controlling thermal effects on the NIR spectra for determination of Hexythiazox in pesticide formulations. An on-line standard addition was carried out showing the versatility and repeatability of multicommutation for the on-line mixing and dilution of solutions. Results obtained for commercial samples were statistically comparable with those obtained by an HPLC-reference method. Multicommutation-NIR allows the analysis of 52 samples per hour, in front of the 30 samples per hour analyzed by the NIR-batch procedure and the 7 samples per hour analyzed by HPLC-reference method.
Effect of pruning-derived biochar on heavy metals removal and water dynamics
2014
Biomass-derived biochar is considered as a promising heavy metal adsorbent, due to abundance of polar functional groups, such as carboxylic, hydroxyl, and amino groups, which are available for heavy metal removal. The aims of this study were to evaluate the effectiveness of an orchard pruning-derived biochar in removing some heavy metals (through the evaluation of isotherms) and to study water dynamics at the solid-liquid interface as affected by heavy metal adsorption (through an innovative nuclear magnetic resonance (NMR) relaxometry approach). Both isotherms and NMR spectra revealed that Pb and Cr showed a good affinity for the biochar surface (Pb > Cr), while Cu was less affine. Accordi…
Carboxylated-xyloglucan and peptide amphiphile co-assembly in wound healing.
2021
Abstract Hydrogel wound dressings can play critical roles in wound healing protecting the wound from trauma or contamination and providing an ideal environment to support the growth of endogenous cells and promote wound closure. This work presents a self-assembling hydrogel dressing that can assist the wound repair process mimicking the hierarchical structure of skin extracellular matrix. To this aim, the co-assembly behaviour of a carboxylated variant of xyloglucan (CXG) with a peptide amphiphile (PA-H3) has been investigated to generate hierarchical constructs with tuneable molecular composition, structure, and properties. Transmission electron microscopy and circular dichroism at a low c…
Stochastic models for wind speed forecasting
2011
Abstract This paper is concerned with the problem of developing a general class of stochastic models for hourly average wind speed time series. The proposed approach has been applied to the time series recorded during 4 years in two sites of Sicily, a region of Italy, and it has attained valuable results in terms both of modelling and forecasting. Moreover, the 24 h predictions obtained employing only 1-month time series are quite similar to those provided by a feed-forward artificial neural network trained on 2 years data.