Abstract
Spikelets NMR spectra are very popular as they enable the shortening of experimental time and give the possibility to obtain required NMR parameters for nuclei with ultrawide NMR patterns. Unfortunately, these resulted ssNMR spectra cannot be fitted directly in common software. For this reason, we developed UWNMRSpectralShape (USS) software which transforms spikelets NMR patterns into single continuous lines. Subsequently, these reconstructed spectral envelopes of the (Q)CPMG spikelets patterns can be loaded into common NMR software and automatically fitted, independently of experimental settings. This allows the quadrupole and chemical shift parameters to be accurately determined. Moreover, it makes fitting of spikelets NMR spectra exact, fast and straightforward.
Highlights
In the last fifty years, NMR spectroscopy has undergone progressive development.One of the first NMR publications sixty years ago opened the door for NMR studies, providing valuable information about the molecular structure and dynamics in solid systems [1]
Since ca. 75% of NMR active nuclei have a quadrupolar character and, provide very broad and complicated spectral lines, this area is still under scrutiny. Many of these quadrupolar nuclei are unreceptive to the traditional NMR experiments due to their low natural abundance or low gyromagnetic ratio
Additional complications arise from the anisotropic broadening of powder patterns which dramatically reduce the signal-to-noise ratio (SNR)
Summary
In the last fifty years, NMR spectroscopy has undergone progressive development.One of the first NMR publications sixty years ago opened the door for NMR studies, providing valuable information about the molecular structure and dynamics in solid systems [1]. V. Pound [2], and, over the few years, many papers dealing with the analysis of quadrupolar NMR powder lineshapes were published. 75% of NMR active nuclei have a quadrupolar character (spin I > 1 /2 ) and, provide very broad and complicated spectral lines, this area is still under scrutiny. Many of these quadrupolar nuclei are unreceptive to the traditional NMR experiments due to their low natural abundance or low gyromagnetic ratio. Additional complications arise from the anisotropic broadening of powder patterns which dramatically reduce the signal-to-noise ratio (SNR). As the resulting powder patterns can reach from tens kHz to a few MHz in width, they cannot be acquired using techniques such as the single-pulsed (SP)
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
