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List of chemical elements — with basic properties like standard atomic weight, m.p., b.p., abundance; Abundance of the chemical elements; Abundances of the elements (data page) — Earth's crust, sea water, Sun and Solar System
Available through Wiley Online Library [3] (John Wiley & Sons), SpecInfo on the Internet NMR is a collection of approximately 440,000 NMR spectra (organized as 13 C, 1 H, 19 F, 31 P, and 29 Si NMR databases). The data are accessed via the Internet using a Java interface and are stored in a server developed jointly with BASF. The software ...
Dimethylbenzylamine is the organic compound with the formula C 6 H 5 CH 2 N(CH 3) 2. The molecule consists of a benzyl group, C 6 H 5 CH 2, attached to a dimethylamino functional group. It is a colorless liquid. It is used as a catalyst for the formation of polyurethane foams and epoxy resins.
The spin interaction that is usually employed for structural analyses via solid state NMR spectroscopy is the magnetic dipolar interaction. [8] Additional knowledge about other interactions within the studied system like the chemical shift or the electric quadrupole interaction can be helpful as well, and in some cases solely the chemical shift has been employed as e.g. for zeolites. [9]
The difference between the chemical shift of a given nucleus in a diamagnetic vs. a paramagnetic environment is called the hyperfine shift.In solution the isotropic hyperfine chemical shift for nickelocene is −255 ppm, which is the difference between the observed shift (ca. −260 ppm) and the shift observed for a diamagnetic analogue ferrocene (ca. 5 ppm).
A classic example is the 1 H-NMR spectrum of 1,1-difluoroethylene. [5] The single 1 H-NMR signal is made complex by the 2 J H-H and two different 3 J H-F splittings. The 19 F-NMR spectrum will look identical. The other two difluoroethylene isomers give similarly complex spectra. [6]
The technique was first described in papers by Ad Bax, Mitsuhiko Ikura and Lewis Kay in 1990, [1] [2] and further experiments were then added to the suite of experiments. Many of these experiments have since become the standard set of experiments used for sequential assignment of NMR resonances in the determination of protein structure by NMR.
Because of the magnitude and severity of the problems with chemical shift referencing in biomolecular NMR, a number of computer programs have been developed to help mitigate the problem (see Table 1 for a summary). The first program to comprehensively tackle chemical shift mis-referencing in biomolecular NMR was SHIFTCOR. [2] Table 1.