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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

ALIEV, AE; HARRIS, KDM; HARRIS, RK; CARSS, SA; OLIVIERI, AC; (1995) 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. J CHEM SOC FARADAY T , 91 (18) 3167 - 3176.

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Abstract

High-resolution solid-state C-13 NMR spectra of 1,4-dibromobenzene, 1,3,5-tribromobenzene, 1,2,4,5-tetrabromobenzene and hexabromobenzene (recorded 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 second-order quadrupolar interactions and both direct and indirect dipole-dipole interactions between C-13 and Br-79/81. Numerical simulations have been used to obtain data on dipolar coupling constants and/or anisotropies in indirect coupling. In these simulations, effects arising from interaction with the directly bonded Br-79/81 nucleus, intramolecular interactions with Br-79/81 nuclei in the ortho, meta and para positions relative to the C-13 nucleus, and intermolecular interactions with Br-79/81 nuclei in neighbouring molecules were considered. Spectra are also presented for a range of other organic solids containing bromine.

Type:Article
Title: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
Keywords:NUCLEAR-MAGNETIC-RESONANCE, RESIDUAL DIPOLAR, STATE NMR, CPMAS-NMR, STRUCTURAL INFORMATION, COUPLING-CONSTANTS, SUPPRESSION, DEUTERIUM
UCL classification:UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry

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