Search results for "MR"
showing 10 items of 3001 documents
Chemical and Spectroscopical Properties of Medium Sizedtrans- andcis-Bicyclo[n.1.0]alk-2-ynes
1997
Chemical and spectroscopical properties of cis- and trans-cyclopropano-anellated cycloalkynes of medium ring size are investigated and compared with results from force field calculations. IR and 13C-NMR data of the alkynes reflect the deformation of the triple bond due to ring strain. Parallel to bending the reactivity increases with decreasing ring size, the trans fused alkynes prove to be nearly as reactive as the cis fused with a two carbon smaller ring size. The bicycloalkynes are complexed with silver triflate. 13C NMR reveals that the triple bond as well as the cyclopropane serve as ligands.
1H and 13C NMR investigation of the fluxional behavior of η6-(bicyclo[6.1.0]Nona-2,4,6-triene)hexacarbonyldiiron- (FeFe)
1977
Abstract The variable temperature 1 H and 13 C NMR spectra of (C 9 H 10 )Fe 2 (CO) 6 have been recorded. The molecule is fluxional. The high temperature spectra indicate an apparent plane of symmetry bisecting the bound organic ligand, whereas the low temperature limiting spectra are entirely consistent with the asymmetric skew-type structure found in the crystal. Thus the molecule is also properly described in solution as μ-(2-σ,6,7-η:35-η-bicyclo[6.1.0]nonatriene)hexacarbonyldiiron(FeFe). Based on the observed line shape changes of the carbonyl resonances between −140 and −110°C, it is shown that the twitching and not the gliding process is responsible for the relative movement of the F…
Formation of Pyrazol-1,3,4-Thiadiazoles through 1,3-Dipolar Cycloadditions of 3-Thioxo-[1,2,4]-Triazepin-5-one with Nitrilimines: An Experimental and…
2009
In this work the results of experimental and computational study of the title compounds and some ancillary compounds are reported. Two bicyclic pyrazol-1,3,4-thiadiazole derivatives were synthesized by reaction between 6-dimethylaminomethylene-3-thioxo-[1,2,4]- triazepin-5-one 1 and several nitrilimines 2a-f to give corresponding spirocycloadducts 3a-f, which undergo a rapid rearrangement leading to the new bicyclic compounds, 4a-f and 5a-f. These obtained bicyclic products were characterized by 1H and 13C NMR spectroscopy and finally by X-ray crystallography. Theoretical calculations have been carried out using DFT methods to rationalize the formation of the two new bicyclic compounds. Two…
Ring transformation of furfural into an unusual bicyclic system: Characterisation and dynamic stereochemistry of 6,7-diethoxycarbonyl-6,7-diaza-8-oxa…
1997
Abstract 2-Formylthiophene and 3-formylindole react with diethyl azodicarboxylate to give simple products derived from reactions on the formyl group whereas 2-formylfuran reacts to give the unexpected bicyclic title compound. 1 H and 13 C NMR studies indicate that this compound undergoes a series of three dynamic conformational changes over the temperature range 50 to −90°C which are ascribed to slow rotation about the exocyclic carbamate bonds and hindered bridge inversion.
The fluxional behaviour of η6(bicyclo[6.2.0]deca-2,4,6-triene) hexacarbonyl diruthenium (Ru-Ru) by 1H and 13C NMR techniques
1977
Abstract The variable temperature 1 H NMR spectra of [Ru 2 (CO) 6 η 6 -C 10 H 12 )] (C 10 H 12 = bicyclo [6.2.0]-deca-2,4,6-triene) shows that this molecule undergoes the fluxional behaviour previously reported for [M 2 (CO) 6 (η 6 -polyolefin)] complexes (M = Fe, Ru) which have in the solid an asymmetric skew-type structure. The use of 13 C NMR techniques, employed for the first time for a diruthenium complex of the above type, allows a comparison of the mechanism of the fluxional process with that of the diiron analog. Although the observed line shape changes of the carbonyl resonances in the two complexes are somewhat different the process are basically the same. In the case of the dirut…
Memristors in Nonlinear Network : Application to Information (Signal and Image) Processing
2021
Memristor is a two-terminal nonlinear dynamic electronic device. Typically, it is a passive nano-device whose conductivity is controlled by the flux, time-integral of the voltage across its terminals, or by the charge, time-integral of the current flowing through it, and it presents interesting features for versatile applications. This thesis considers memristor use as a neighborhood connection for 2D cellular nonlinear or neural network (CNN), essentially for information (image and signal) processing and electronic prosthesis. We develop a model of the memristor based 2D cellular nonlinear networks CNNs compatible to image applications by incorporating memristor in the adjacent neighborhoo…
Supramolecular Adducts of Ferrocene and Five Bile Acid Derived Triolides
1997
Formation of supramolecular adducts of ferrocene (guest) and cyclic head-to-tail trimers (hosts) derived from bile acid: 3α-hydroxy-5β-cholan-24-oic acid triolide (1), 3α-hydroxy-7-oxo-5β-cholan-24-oic acid triolide (2), 3α-hydroxy-12-oxo-5β-cholan-24-oic acid triolide (3), 3α-hydroxy-7α-trifluoroacetoxy-6β-cholan-24-oic acid triolide (4) and 3α-hydroxy-12α-TFA-5β-cholan-24-oic acid triolide (5) (TFA = trifluoroacetoxy) have been studied by 1H NMR. The best computer-assisted data fitting on the 1H-NMR chemical shift data was given by a 1:2 (guest/host) association model. The association constants vary in the range 170–990 M−1, 7-oxo-substituted triolide 2 and 12α-TFA triolide 5 showing the …
Diorganotin(IV) N-acetyl-L-cysteinate complexes: synthesis, solid state, solution phase, DFT and biological investigations.
2009
Diorganotin(IV) complexes of N-acetyl-L-cysteine (H(2)NAC; (R)-2-acetamido-3-sulfanylpropanoic acid) have been synthesized and their solid and solution-phase structural configurations investigated by FTIR, Mössbauer, (1)H, (13)C and (119)Sn NMR spectroscopy. FTIR results suggested that in R(2)Sn(IV)NAC (R = Me, Bu, Ph) complexes NAC(2-) behaves as dianionic tridentate ligand coordinating the tin(IV) atom, through ester-type carboxylate, acetate carbonyl oxygen atom and the deprotonated thiolate group. From (119)Sn Mössbauer spectroscopy it could be inferred that the tin atom is pentacoordinated, with equatorial R(2)Sn(IV) trigonal bipyramidal configuration. In DMSO-d(6) solution, NMR spectr…
Crystal Structure and Host-Guest Binding Ability of Three Types of Pillar[5]arenes
2015
A systematic research of the structural characterization and the host-guest binding abilities between three types of pillar[5]arenes 3–5 (3 for Structure Type I, 4 for Structure Type II and 5 for Structure Type III) is carried out by 1H NMR measurements and X-ray study. The results show that the configurations or symmetry of their cavities not only have large difference in these three types of pillar[5]arenes, but also have more or less variations even in the same structure type or the same host locked different guests such as crystals of 3a–3b, 4a–4d. On the other hand, the complexation behavior of pillar[5]arenes with 1,4-dibromobutane (DBB) is affected by the different symmetrical struct…
Effect of texture on the dynamics of a water saturated biochar
2014
Biochar is defined as charred organic matter applied to soil in a deliberate manner, with the intent to improve soil properties (Lehmann et al., 2009). Biomass-derived char can be used as energy carrier, as adsorber and as material for the improvement of soil properties. Carbonized organic matter can have different physical and chemical properties depending on the technology used for its production. Moreover char texture influences deeply physical and chemical properties. In this work effect of texture on the dynamics of a water saturated biochar was analyzed by FFC NMR. An industrial biochar derived from gasification of poplar wood was sieved to determine influence of texture on water dynami…