The technique of nuclear magnetic pulsed double resonance in the rotating frame has been used to determine the quadrupole interactions of 14N in a single crystal of glycine nt 140Β°C. The 1% quldrupole coupling constant is found to be very small e%Q/fz = ;-%5kHz. whereas the ssymmetry paczmeter is re
A theoretical and experimental study of 14n quadrupole coupling in maleic hydrazide
β Scribed by M.H. Palmer; M.M.I. Haq; D. Stephenson; J.A.S. Smith
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 384 KB
- Volume
- 127
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Theoretical calculations
have been performed of the 14N quadrupole coupling tensor in maleic hydrazide, both as monomer and as an N-H...0 hydrogen-bonded dimer at the orientation found m the crystal; the latter are in reasonable agreement with the experimental results obtained by double resonance and cross-relaxation spectroscopy, and reveal small changes in electron density due to the hydrogen bonding.
π SIMILAR VOLUMES
## Abstract ^13^C chemical shieldings and ^14^N and ^2^H electric field gradient (EFG) tensors of Lβalanylglycine (Lβalagly) dipeptide were calculated at RHF/6β31 + + G\*\* and B3LYP/6β31 + + G\*\* levels of theory respectively. For these calculations a crystal structure of this dipeptide obtained
The optimum 14 N pulse lengths in the 13 C-14 N rotationalecho adiabatic-passage double-resonance (REAPDOR) NMR experiment are determined from calculations and from experiments on samples of glycine and L-alanine. The REAPDOR experiment utilizes the adiabatic passages that 14 N spins make between th