ISSN:
1573-8353
Keywords:
Ab initio calculations
;
charge distribution
;
mesoionic structures
;
multinuclear NMR
;
protonation site
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Multinuclear1H,13C,14N,15N, and17O NMR data are presented for some sydnones, isosydnones and isothiosydnones. The type of valence tautomerism shown in (Fig. 1) is not observed for the compounds studied. At high pH compounds2 and12 are found to undergo transformations. The more suitable NMR parameters are reported for establishing the structures of mesoionic compounds containing three heteroatoms in the five-membered conjugated ring. Someab initio GIAO calculations on a model structure of sydnones and related compounds have been performed.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01169966
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