ISSN:
0749-1581
Keywords:
15N NMR Tetrazoles
;
Protonation
;
MNDO calculations
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A natural abundance 15N NMR study was carried out on a series of 1- and 2-mono- and 1,5- and 2,5-disubstituted tetrazoles in different media. An erroneous assignment given in the literature for 2,5-disubstituted tetrazoles was corrected using MNDO molecular orbital calculations and the analysis of changes in the 15N chemical shifts on protonation. Earlier assignments for 1- and 2-mono- and 1,5-disubstituted tetrazoles were confirmed by the same means and by the use of 15N,H couplings. Direct proof that N-4 is the protonation site is presented, to our knowledge for the first time.
Additional Material:
4 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1260300618
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