Conformational analysis of thia crown ether derivatives by NMR spectroscopy and molecular mechanics calculations
✍ Scribed by R. Meusinger; J. Heinicke; K. Möhle; M. Mühlstädt
- Publisher
- Springer Vienna
- Year
- 1996
- Tongue
- English
- Weight
- 593 KB
- Volume
- 127
- Category
- Article
- ISSN
- 0026-9247
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
A combined experimental ('H NMR) and theoretical (molecular mechanics and PCILO) study of (4S,SS,6R)-4-carboma thoxyethylenyl-N-carbobenzyloxy-5-methyl-6-phenyl oxazolidine has been carried out with the purpose of contributing to a better understanding of the steric and electronic factors responsibl
Two conformations of the cis-cyclohexano-8-crown-3 molecule were detected at 185 K. From relative 13 C NMR peak area measurements, the conformation with the O-CH 2 -O unit equatorial was found to be favoured by 4.4 š 0.4 kJ mol 1 . In the spectrum of the minor conformer at low temperature, a 9.6 ppm
The conformation of diribosylribitol phosphate was studied by means of NMR spectroscopy and molecular dynamics (MD). Starting from 3 J( 1 H, 1 H), 3 J( 31 P, 1 H) and 3 J( 31 P, 13 C) couplings, measured from 1 H NMR, 13 C NMR and COSY spectra, the conformations of the ribose residues and the phosph