Deuteron chemical shift and EFG tensors in α-glycine

Efficient heteronuclear dipolar decoupling in solid-state nuclear magnetic resonance at rotary resonance conditions

“…Simulations performed with the SPINEVOLUTION programme [15] using the crystallographic coordinates of a-glycine [16] and a 1 H CSA of 2.5 kHz [17,18] confirm our experimental findings. The simulation results in Fig.…”

Dipolar recoupling in fast-MAS solid-state NMR spectroscopy

“…The resulting quadrupole coupling is the dominant feature of basically all solid-state 2 H NMR spectra and, moreover, it is the parameter at whose determination the experiments are aimed [10,[124][125][126][127][128][129][130]. In view of this background, the chemical shift of 2 H has not been of much interest in solid-state NMR up to now [131,132], as it seemed to be too small an effect to be considered of experimental relevance. However, when measured on a relative, i.e.…”

Radio frequency assisted homonuclear recoupling – A Floquet description of homonuclear recoupling via surrounding heteronuclei in fully protonated to fully deuterated systems

“…The deuterium nuclei quadrupole parameters were estimated as v = e 2 Qq/⁄ = 170 kHz and g = 0 (following Ref. [36]). Powder averaging was performed using 168 {a, b} pairs and 20 c angles, increasing the number of orientations did not lead to different results.…”