A simple and effective method is described for simultaneously measuring dipolar couplings for methine, methylene, and methyl groups in weakly oriented macromolecules. The method is a J-modulated 3D version of the well-known [1H-13C] CT-HSQC experiment, from which the J and dipolar information are most accurately extracted by using time-domain fitting in the third, constant-time dimension. For C...

in this research an effective and appropriate method has been developed for one-pot synthesis of new n-phenyl fulleroisoxazoline using fe3o4@sio2 nanoparticles as a green magnetically recyclable catalyst. the prepared catalytic samples were characterized by xrd, sem, ft-ir and vsm. the products have been characterized by physical and spectroscopic data such as ir, 1h nmr, 13c nmr, and ms analyses.

Novel 1D and multidimensional solid-state NMR (SSNMR) methods using very fast magic-angle spinning (VFMAS) (spinning speed > 20 kHz) for performing 13C high-resolution SSNMR of paramagnetic organometallic complexes are discussed. VFMAS removes a majority of 13C-1H and 1H-1H dipolar couplings, which are often difficult to remove by RF pulse techniques in paramagnetic complexes because of large p...

Instrumentation: NMR spectra were recorded on Bruker Advance 400 (400.14 MHz for 1H and 100.62 MHz for 13C), Bruker Advance III plus 400 (400.34 MHz for 1H and 100.67 MHz for 13C), and Bruker Advance III 600 (600.13 MHz for 1H and 150.90 MHz for 13C) NMR spectrometers. All the collected spectra were referenced on residual solvent signal according to Nudelman and coworkers.[1] Mass spectra were ...

body's iterative force-field computer program has been used to calculate strain energies in cyclooctanone (i). 348 mhz 1h nmr spectra of (i) have been investigated over the temperature range of 25° to -160°c. two conformation processes affect the 1h nmr spectrum of (i). iterative force-field calculations on the conformations and conformational interconversion paths of (i) give results consisten...

A new series of N-[2-(1H-1,2,3-benzotriazol-1-yl)ethyl]-4-(substitutedphenyl)-3-chloro-2-oxo-1-iminoazetidine, compounds 4(a-j) were synthesized. The structures of all the synthesized compounds were confirmed by chemical and spectral analyses such as IR, 1H NMR, 13C NMR and FAB-Mass. The compounds 4(a-j) were screened for their antibacterial, antifungal and antitubercular activities and gave ac...

An efficient protocol for the synthesis of 3,4-dihydropyrimidin-2-(1H)-one/thione derivatives via multi-component coupling reaction of aromatic aldehydes, β-ketoester and urea or thiourea under solvent-free conditions using Silica Supported Barium Chloride as a catalyst is described. All prepared compounds with melting points, IR,1H NMR and 13C NMR were identified. High yields, mild conditi...

Transferred nuclear Overhauser enhancement spectroscopy (TRNOE) was used to observe changes in a ligand's conformation upon binding to its specific antibody. The ligands studied were methyl O-beta-D-galactopyranosyl(1----6)-4-deoxy-4-fluoro-beta-D-galactopyra nos ide (me4FGal2) and its selectively deuteriated analogue, methyl O-beta-D-galactopyranosyl(1----6)-4-deoxy-2-deuterio-4-fluoro-beta -D...

Trimethylborane (1), triethylborane (2), 1,3-dimethyl-1-boracyclopentane (3), 1-methyl-1boracyclohexane (4), 9-methyland 9-ethyl-9-borabicyclo[3.1.1]nonane [5(Me) and 5(Et)], and 1boraadamantane (6) were studied by 11B and 13C NMR spectroscopy with respect to coupling constants 1J(13C,11B) and 1J(13C,13C). Results of DFT calculations at the B3LYP/6-311+g(d,p) level of theory show satisfactory a...

a simple and green synthesis of α-hydroxy phosphonates has been performed by reaction between aldehydes and triethyl phosphite using sodium dodecylphosphonate as anionic surfactant in micellar media under reflux conditions. the novel structures were recognized by 1h nmr, 13c nmr and 31p-nmr. the employ of green media, clean reaction profiles, simple experimental and work up procedures and high ...