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Structures of complexes of cobalt(III) and glucosamine. Applications of molecular mechanics and NMR spectroscopy

✍ Scribed by Sergio Bunel; Carmen Ibarra; Exequiel Moraga; Andrei Blaskó; Clifford A. Bunton

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
877 KB
Volume
244
Category
Article
ISSN
0008-6215

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✦ Synopsis

The 'H NMR signals of the hydrochlorides of 2-amino-Zdeoxya-and $-o-glucose (a-and b-o-glucosamine) have been assigned and chemical shifts and coupling constants determined from their phase-sensitive COSY spectra in D,O. Based on the Karplus relation the observed coupling constants fit H-H dihedral angles calculated with MM2 parameters. The COSY spectrum of the A isomer of [Ck$en), . D-glucosamine] '+ shows that it is formed from the (Y anomer. The coupling constants, except

for & and 4,,,, agree qualitatively with dihedral angles predicted by MM2 parameters. The structure of triammine-C&III)-L-malate simulated by using MM2 parameters agrees reasonably well with that from X-ray crystallography.

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