Ae. Aliev et al., 2ND-ORDER QUADRUPOLAR EFFECTS FOR DIRECTLY BONDED AND REMOTE C-13-BR-79 81 SPIN PAIRS IN HIGH-RESOLUTION C-13 NMR-SPECTRA OF SOLIDS/, Journal of the Chemical Society. Faraday transactions, 91(18), 1995, pp. 3167-3176
Citations number
36
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
High-resolution solid-state C-13 NMR spectra of 1,4-dibromobenzene, 1,
3,5-tribromobenzene, 1,2,4,5-tetrabromobenzene and hexabromobenzene (r
ecorded at several different magnetic field strengths from 4.7-14.1 T)
are reported. The bandshapes for C-13 nuclei directly bonded to Br-79
/81 nuclei are characteristic multiplets arising from the effects of s
econd-order quadrupolar interactions and both direct and indirect dipo
le-dipole interactions between C-13 and Br-79/81. Numerical simulation
s have been used to obtain data on dipolar coupling constants and/or a
nisotropies in indirect coupling. In these simulations, effects arisin
g from interaction with the directly bonded Br-79/81 nucleus, intramol
ecular interactions with Br-79/81 nuclei in the ortho, meta and para p
ositions relative to the C-13 nucleus, and intermolecular interactions
with Br-79/81 nuclei in neighbouring molecules were considered. Spect
ra are also presented for a range of other organic solids containing b
romine.