Cross-correlated quadrupolar spin relaxation and carbon-13 lineshapes in the (13)CD(2) spin grouping.
Lineshape calculations are reported for a spin system consisting of a spin-12 nucleus scalar-coupled to two magnetically equivalent spin-1 nuclei, e.g., a CD(2) group. It is found that, because of the differential line broadening, the peak height ratio of the five spin-12 nucleus transitions is expected to deviate from the integrated intensity ratio of 1:2:3:2:1. The deviation is dependent on the extent of cross-correlation between the two quadrupolar interactions. The theoretical predictions for peak height ratios and for bandshapes are tested for the carbon-13 spectrum of perdeuterated ethylene glycol, and iterative fitting is used to obtain an estimate of the extent of the correlation between the quadrupolar interactions for the two deuterons.
Werbelow
L G
LG
Chemistry Department, NMIMT, Socorro, New Mexico 87801, USA.
Morris
G A
GA
Kumar
P
P
Kowalewski
J
J
D002247:Carbon Isotopes / Q000737:chemistry*; D019855:Ethylene Glycol / Q000737:chemistry; D005583:Fourier Analysis; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008280:Magnetics
D002247:Carbon Isotopes; D019855:Ethylene Glycol