Is the 31 P chemical shift anisotropy of aluminophosphates a useful parameter for NMR crystallography?
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چکیده
منابع مشابه
Chemical shift anisotropy amplification.
A new NMR experiment which allows a measurement of the chemical shift anisotropy (CSA) tensor under magic angle spinning (MAS) is described. This correlates a fast MAS spectrum in the omega2 dimension with a sideband pattern in omega1 in which the intensities mimic those for a sample spinning at a fraction of the rate omega r/N, and these sidebands result from an amplification by a factor N of ...
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15 صفحه اولCyclo-P₃ Complexes of Vanadium: Redox Properties and Origin of the ³¹P NMR Chemical Shift.
The synthesis and characterization of two high-valent vanadium-cyclo-P3 complexes, (nacnac)V(cyclo-P3)(Ntolyl2) (1) and (nacnac)V(cyclo-P3)(OAr) (2), and an inverted sandwich derivative, [(nacnac)V(Ntolyl2)]2(μ2-η(3):η(2)-cyclo-P3) (3), are presented. These novel complexes are prepared by activating white phosphorus (P4) with three-coordinate vanadium(II) precursors. Structural metrics, redox b...
متن کاملQuantum chemical calculations of (31)P NMR chemical shifts: scopes and limitations.
The aim of this work is to convince practitioners of (31)P NMR methods to regard simple GIAO quantum chemical calculations as a safe tool in structural analysis of organophosphorus compounds. A comparative analysis of calculated GIAO versus experimental (31)P NMR chemical shifts (CSs) for a wide range of phosphorus containing model compounds was carried out. A variety of combinations (at the HF...
متن کاملBioinformatics Methods for NMR Chemical Shift Data
Nuclear magnetic resonance spectroscopy (NMR) is one of the most important methods for measuring the three-dimensional structure of biomolecules. Despite major progress in the NMR methodology, the solution of a protein structure is still a tedious and time-consuming task. The goal of this thesis is to develop bioinformatics methods which may strongly accelerate the NMR process. This work concen...
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ژورنال
عنوان ژورنال: Magnetic Resonance in Chemistry
سال: 2018
ISSN: 0749-1581
DOI: 10.1002/mrc.4788