Search results for " Spectroscopy"
showing 10 items of 6851 documents
Vibrational spectroscopy in soil and sediment analysis
2014
The literature concerning the use of vibrational spectroscopy for soil and sediment analysis, published in the last years, has been revised in order to provide a picture of the strengths and weaknesses of these direct techniques to characterize soil composition and properties. Many soil components as water, organic matter, like humic substances, and minerals, can be determined together with physicochemical parameters as pH, conductivity or redox potential. The main strategies to obtain sample spectra and to extract, as many as possible, useful information were evaluated, taking into account the progress on chemometrics and discussing the whole analytical process, from sampling to sample pre…
NMR Matrix Technique for Detecting Self Diffusion in Polymers
1979
A technique is discussed where monodisperse small spheres or cylindrical fibers of a polymer are embedded in a matrix of the corresponding fully deuterated polymer. On annealing the sample at a temperature above the glass transition the protonated macromolecules diffuse into the deuterated matrix and vice versa. Since the NMR spectrum depends upon the intermolecular proton proton dipolar coupling, the decrease of this coupling can be used to monitor the diffusion process. For particle diameters d ∼ 10−4 cm and annealing times t ∼ 105 s, extremely small diffusion constants D < d2/t are attainable. The NMR analysis of prospective diffusion experiments with polystyrene is discussed in some det…
Semicarbazides as gel forming agents for common solvents and liquid crystals
2006
This paper describes the synthesis of 14 new gelling agents with semicarbazide groups as H-bonding motifs and alkyl- and/or azobenzene side groups. They gel solvents like decaline, 1,2-dichlorobenzene and toluene and liquid crystalline mixtures. X-Ray structure analysis shows that the semicarbazides are connected by H-bonds, each molecule to four neighbours. As a result a ribbon is formed with a core of H-bonded semicarbazide groups and alkyl chains sticking to the side. IR measurements show an unchanged H-bonding motif in large crystals and in the gel fibres, even in LC-mixture. During heating the gel melts (rheology), while the H-bonding motif of the crystal disappears (IR and DSC measure…
Watching the photo-oxidation of a single aromatic hydrocarbon molecule
2001
International audience; The photooxidation of single dye molecules (see scheme) can be followed by confocal fluorescence microscopy. The self-sensitized reaction with singlet oxygen leads to a suite of products, which may be differentiated spectrally. Tentative structures for certain photoproducts have been obtained from quantum-chemical calculations.
FT-IR and dielectric study of water/AOT liquid crystals
2000
Abstract In order to explore the influence of microwave radiation on highly viscous microheterogeneous systems, the evolution of structural and dynamical properties of the water/sodium bis(2-ethylhexyl) sulfosuccinate (AOT) liquid crystals as a function of the molar ratio R (R=[water]/[AOT]) has been investigated by FT-IR spectroscopy and time domain reflectometry. The study emphasises how the progressive hydration of the surfactant head groups is mainly responsible for the structural and dynamical evolution of water/AOT liquid crystals. In particular, it has been found that the state of water at lower R values is strongly perturbed, bulk-like water appears only at R>23 and the water/AOT in…
Direct monitoring of spin state in dinuclear iron(II) coordination compounds
2001
So far there has been no direct method to determine the spin state of molecules in dinuclear iron(II) compounds. The molecular fractions of high-spin (HS) and low-spin (LS) species have been deduced from magnetic susceptibility and zero-field Mossbauer spectroscopy data irrespective of whether they belong to LS–LS, LS–HS and HS–HS pairs. However, the distinction of pairs becomes possible if Mossbauer measurements are carried out in an external magnetic field. The proposed method opens new possibilities in the study of spin crossover phenomena in dinuclear compounds.
Discrete bond model (DBM) of sodium silicate glasses derived from XPS, Raman and NMR measurements
1993
In sodium silicate glasses, the fraction of differently bound Si species Q[i] (i = 0−4), depending on the number i of bridging oxygens bound to the quarternary silicon, is a function of stoichiometry and the Na/Si ratio. Sodium silicate glasses were investigated by high resolution X-ray photoelectron spectroscopy. To explain the differences in chemical shifts and linewidths of the O 1s signal of the bridging and the non-bridging oxygen as a function of alkali concentration, and extended glass model was developed. This new model takes into account the influence of the alkali concentration on the Q[i] distribution and on the appearance and concentrations of differently bound bridging oxygens …
13C NMR study of aromatic ring-substituted (E)-3-phenylpropenals and (2E,4E)-5-phenylpenta-2,4-dienals
1990
13C and 1H chemical shifts together with C,H and H,H coupling constants are presented for (E)-3-phenylpropenal, (2E,4E)-5-phenylpenta-2,4-dienal and their o-OCH3- and o-, m- and p-NO2-substituted derivatives. The SCSs calculated for the aldehyde chains show similar effects on the ring carbons, except in the para position where the shorter chain causes a 3.3 ppm deshielding and the longer chain a 1.0 ppm shielding effect. This shift difference is reflected in all the ring-substituted derivatives of the two series of aldehydes, but not in the one-bond C,H coupling constants. The effect of aromatic ring substitution on 2J(C,CHO) seems to be mainly inductive in origin. The importance of the str…
Über tetraaryl-methan-analoga in der gruppe 14
1994
Abstract The title compounds have been synthesized by Grignard reactions or pyrolysis of diplumbanes respectively. The crystal structures of m -Tol 4 Pb and Ph 4 Pb (redetermination) have been determined. All eight compounds (Ph/Tol) 4 (Sn/Pb) are S 4 symmetric and contracted along this unique axis. The 13 C-NMR chemical shifts and the couplings 1 J ( 119 Sn/ 207 Pb 13 C) as well depend additively upon the methyl substituents. The ratios 1 K ( 207 Pb 13 C): 1 K ( 119 Sn 13 C) of the reduced coupling constants are all near to 1.61; a comparison with values from the literature for alkyl, alkenyl and alkinyl substituents is given. The ratio δ( 207 Pb):δ( 119 Sn) results in 2.28. IR (700 dow…
1H,13C,17O and19F NMR spectroscopic study of isomeric ring-substituted monofluoro-(E)-3-phenylpropenals
1993
Isomeric ring substituted monofluoro-(E)-3-phenylpropenals (cinnamaldehydes) were synthesized in order to provide, with the NMR-active 19F nucleus, an insight into the influence of substituents and the transmission of electronic effects between the aromatic ring and the side-chain. Their 1H, 13C and 17O NMR chemical shifts and their nJ(H,H), nJ(H,F), nJ(C,H) and nJ(C,F) values were determined. Generally, the nJ(C,F) coupling constants correlate with the length of the coupling route and thus simplify the assignments of the 13C NMR spectra. Only the side-chain carbons C-2 and C-3 in the ortho-substituted compounds showed an exception to this rule. Many long-range nJ(H,F) (n = 4–7) values were…