ISSN:
0749-1581
Keywords:
2H NMR
;
11B NMR
;
14N NMR
;
Spin-lattice relaxation
;
Nuclear quadrupolar coupling constants
;
MO calculations
;
Cyanoborohydride ion
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The 11B and 2H spin-lattice relaxation times, T1, were measured for sodium cyanoborohydride (BH3CN-) and sodium cyanoborodeuteride (BD3CN-) in methanol-ethylene glycol solution as a function of temperature. Both 11B and 2H T1 minima were observed, yielding 11B and 2H nuclear quadrupolar coupling constants, χ, of 766 and 104 kHz, respectively. Measurement of the 14N T1 at 300 K gave a χ(14N) value of 2.8 MHz. Electric field gradients were calculated using ab initio molecular orbital theory, in order to obtain theoretical 11B, 14N and 2H χ values. The values of 847 kHz, -3.25 MHz and 141 kHz for 11B, 14N and 2H, respectively, are larger than those found in solution.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1260320507
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