Search results for "RESONANCE"
showing 10 items of 6625 documents
Structural studies of adsorbed protein (betalactoglobulin) on natural clay (montmorillonite)
2014
International audience; In this work, the adsorption of a small globular protein (betalactoglobulin, BLG), on a natural montmorillonite clay (Mt) was investigated in acidic buffer (pH = 3). The combination of different characterization techniques such as zetametry, X-ray diffraction, transmission electronic microscopy, fluorescence and solid state nuclear magnetic resonance spectroscopies shed light on the interaction mechanism between the clay mineral and the proteins. For low BLG concentration, a slight increase of the interlayer spacing of the clay mineral was noticed as well as structural changes of the protein. In contrast, as the concentration of BLG increased, the adsorption led to a…
Insights into the Formation and Structures of Molecular Gels by Diimidazolium Salt Gelators in Ionic Liquids or “Normal” Solvents
2016
Insights are provided into the properties of molecular gels formed by diimidazolium salts both in “normal” solvents and ionic liquids. These materials can be interesting for applications in green and sustainable chemistry in which ionic liquids play a significant role, like catalysis and energy. In particular, two positional isomers of a diimidazolium cation have been examined with a wide range of anions for their ability to form gel phases. In particular, di-, tri-, and tetravalent anions bearing aliphatic or aromatic spacers were paired with the divalent cations. The properties of the organo- and ionogels formed have been analyzed by means of several different techniques, including calori…
Counterion influence on the N–I–N halogen bond
2015
A detailed investigation of the influence of counterions on the [N–I–N]+ halogen bond in solution, in the solid state and in silico is presented. Translational diffusion coefficients indicate close attachment of counterions to the cationic, three-center halogen bond in dichloromethane solution. Isotopic perturbation of equilibrium NMR studies performed on isotopologue mixtures of regioselectively deuterated and nondeuterated analogues of the model system showed that the counterion is incapable of altering the symmetry of the [N–I–N]+ halogen bond. This symmetry remains even in the presence of an unfavorable geometric restraint. A high preference for the symmetric geometry was found also in …
Elaboration and characterization of organic/inorganic hybrid nanoporous material incorporating Keggin-type Mo-Si polyanions
2007
A novel nanoporous (pore size of 11 nm in average, BET surface area of 30 m2/g, pore volume of 300 mm3/g) hybrid inorganic-organic material was synthesized using the solid-phase interaction at room temperature of plant-originated phenylpropanoid polymer lignin and a Keggin-type heteropolyanion [SiMo12O40]4-. The partly reduction of Mo(VI) to Mo(V) and complexes formation between lignin and polyanion have been established by EPR, FT-IR and Raman spectroscopy. The XRD pattern and FT-IR spectrum of the hybrid material and indicates that [SiMo12O40]4- anion maintains the Keggin structure.
Effect of Heating Time and Temperature on the Chemical Characteristics of Biochar from Poultry Manure
2014
Poultry manure (PM) chars were obtained at different temperatures and charring times. Chemical-physical characterization of the different PM chars was conducted by cross-polarization magic angle spinning (CPMAS) (13)C NMR spectroscopy and thermal analysis. CPMAS (13)C NMR spectra showed that the chemical composition of PM char is dependent on production temperature rather than on production duration. Aromatic and alkyl domains in the PM chars obtained at the lowest temperatures remained unchanged at all heating times applied for their production. The PM char obtained at the highest temperature consisted only of aromatic structures having chemical nature that also appeared invariant with hea…
Dimethoxy aromatic compounds. IV.—determination of stereochemistry of 2,3,6,7-tetraalkoxy-9,10-dihalomethyl-9,10-dihydroanthracenes by13C NMR chemica…
1987
The analysis of the 13C NMR spectra of several 2,3,6,7-tetraalkoxy-9,10-dihalomethyl-9,10-dihydroanthracenes showed a strong dependence of the chemical shift values on the orientation of the halomethyl groups. On this basis it was possible to determine both the configuration (cis or trans) and conformation of the isomers, even if only one isomer was available.
17O NMR study of isomeric monochloro- and monohydroxy-benzaldehydes and chlorinated salicylaldehydes
1991
The 17O NMR chemical shifts of isomeric monochloro- and monohydroxy-benzaldehydes and chlorinated salicylaldehydes were measured at 40°C for 0.25 M CDCI3 solutions. The 17O NMR chemical shift of the carbonyl oxygen of the compounds studied varies from 506 to 573 ppm measured from external D2O. The observed variation is probably mainly due to the intramolecular hydrogen bonding between the adjacent carbonyl and hydroxyl groups. The 17O NMR chemical shift range of the hydroxyl oxygen is from 80 to 98 ppm.
Impact of O → S Exchange in Ferrocenyl Amides on the Structure and Redox Chemistry
2014
The conformations and redox chemistry of ferrocenyl amides have been investigated in considerable depth in the last few years, while ferrocenyl thioamides have attracted less interest so far, although distinctly different conformations and reactivity patterns are expected. Monoferrocenyl amides Fc-NHC(O)CH3 (1) and 1,1′-CH3O(O)C-Fn-NHC(O)CH3 (2) and diferrocenyl amides Fc-NHC(O)-Fc (5) and Fc-NHC(O)-Fn-NHC(O)CH3 (6) are easily transformed into the corresponding thioamides (3, 4, 7, 8) by treatment with Lawesson’s reagent (2,4-bis(p-methoxyphenyl)-1,3-dithiaphosphetane-2,4-disulfide) (Fc = Fe(C5H4)(C5H5), Fn = Fe(C5H4)2). The thioamide conformations (cis/trans) in 3, 4, 7, and 8 and the hydr…
Interactions between 2-Aminobenzothiazole and Natural Organic Matter as Evidenced by CPMAS Nitrogen-15 NMR Spectroscopy
2009
Cross-polarization magic angle spinning (CPMAS) 15N nuclear magnetic resonance (NMR) spectroscopy was used to study the interactions between 2-aminobenzothiazole (ABT) and natural organic matter in the presence of the natural enzyme laccase and synthetic air. Through the use of synthesized model compounds, we were able to confirm previous findings by CPMAS 13C NMR spectroscopy that showed the formation of covalent amide bonds. We also provide evidence of the presence of two additional H bonds between ABT and the natural organic matter. Both H bonds involved the amino and thiazole groups of ABT.
The effect of disorder on optical spectra of conjugated polymers
1993
Abstract Using the semi-empirical parametrization of the Pariser-Parr-Pople model we determine the excitonic states in conjugated polymers. The employed parameters correspond to a moderate strength of the long-range Coulomb interaction. In order to take the disorder into account, the nearest-neighbour transfer matrix elements are chosen according to a random distribution. Averaging the results over a large number of chains of 100 sites, which are known to be sufficiently long so that finite-size effects become negligible, we obtain the linear and third-order nonlinear optical susceptibilities. With increasing disorder the linear absorption, the two-photon absorption and the third-harmonic g…