The X-ray structure of the title compound has been determined for first time. Data on its 1H–13C-NMR coupling constants and 15N-NMR spectrum are also given.

dft calculations were applied to evaluate the electronic and magnetic properties of zigzag bc2nnanotubes based on the 13c, 15n, and 11b nmr parameters and natural charge analysis. weconsidered three types of zigzag nanotubes, zz-1, zz-2, and zz-3 (n, 0) with n = 8, 12, and 14. theobtained results indicated the divisions of the electrostatic environments around c nuclei into a fewlayers, consist...

A new 3D pulse sequence correlates backbone amide proton and nitrogen with alpha proton resonances selectively for glycine residues in a fully doubly labeled (15N, 13C) protein. The excitation of multiple quantum coherences provides optimized resolution and sensitivity. Degenerate alpha proton groups can be promptly recognized. Correlation of guanidine NH groups to delta protons of arginine sid...

To understand the nature and structure of N-doping centers in carbon materials, we combine two-dimensional (2D) solid-state NMR experiments chemical shift calculations for 15N, 13C, 1H nucl...

High-resolution spectra of the CN B2 summation operator +-X2 summation operator + (0,0) band at 390 nanometers yield isotopic ratios for comets C/1995 O1 (Hale-Bopp) and C/2000 WM1 (LINEAR) as follows: 165 +/- 40 and 115 +/- 20 for 12C/13C, 140 +/- 35 and 140 +/- 30 for 14N/15N. Our N isotopic measurements are lower than the terrestrial 14N/15N = 272 and the ratio for Hale-Bopp from measurement...

We describe the direct observation of very weak side chain-main chain hydrogen bonding interactions in medium-size 13C/15N-labeled proteins with sensitivity-enhanced NMR spectroscopy. Specifically, the remote correlation. between the hydrogen acceptor side chain carboxylate carbon 13CO2delta of glutamate 54 and the hydrogen donor backbone amide 15N of methionine 49 in a 12 kDa protein, human FK...

We report the detection of H13CN and HC15N in mid-infrared spectra recorded by the Composite Infrared Spectrometer (CIRS) aboard Cassini, along with the determination of the 12C/13C and 14N/15N isotopic ratios. We analyzed two sets of limb spectra recorded near 13–15◦ S (Tb flyby) and 83◦ N (T4 flyby) at 0.5 cm−1 resolution. The spectral range 1210–1310 cm−1 was used to retrieve the temperature...

NMR signal amplification by reversible exchange (SABRE) is a NMR hyperpolarization technique that enables nuclear spin polarization enhancement of molecules via concurrent chemical exchange of a target substrate and parahydrogen (the source of spin order) on an iridium catalyst. Recently, we demonstrated that conducting SABRE in microtesla fields provided by a magnetic shield enables up to 10% ...

Four new and complementary three-dimensional triple-resonance experiments are described for obtaining complete backbone ‘H, 13C, and “N resonance assignments of proteins uniformly enriched with “C and 15N. The new methods all rely on ‘H detection and use multiple magnetization transfers through well-resolved one-bond J couplings. Therefore, the 3D experiments are sensitive and permit relatively...