Statistical Mechanics of Unperturbed Polypropylene Chains. Analysis of Nuclear Magnetic Resonance Proton Coupling Constants

1980 ◽  
Vol 13 (4) ◽  
pp. 946-952 ◽  
Author(s):  
S Bruckner ◽  
L Giunchi ◽  
G Allegra



1979 ◽  
Vol 57 (23) ◽  
pp. 3168-3170 ◽  
Author(s):  
Henk Hiemstra ◽  
Hendrik A. Houwing ◽  
Okko Possel ◽  
Albert M. van Leusen

The 13C nmr spectra of oxazole and eight mono- and disubstituted derivatives have been analyzed with regard to the chemical shifts and the various carbon–proton coupling constants of the ring carbons. The data of the parent oxazole are compared with thiazole and 1-methylimidazole.



1982 ◽  
Vol 60 (24) ◽  
pp. 3026-3032 ◽  
Author(s):  
Frank E. Hruska ◽  
Wayne J. P. Blonski

Alkylated pyrimidine bases are of interest from the viewpoint of mutagenesis and carcinogenesis. 1H nuclear magnetic resonance data are presented for a series of ribosides and arabinosides alkylated at the O2,O4, N3, and C5 positions of the pyrimidine base. The data provide information about the stereochemical effects of base methylation. The J(5—6) proton coupling constants show that O-alkylation leads to a decrease in the π-bond order of the C5—C6 bond. The 13C chemical shifts are related to the tautomeric changes effected by O-alkylation.



1988 ◽  
Vol 110 (11) ◽  
pp. 3393-3396 ◽  
Author(s):  
Horst. Kessler ◽  
Christian. Griesinger ◽  
Joerg. Lautz ◽  
Arndt. Mueller ◽  
Wilfred F. Van Gunsteren ◽  
...  


1969 ◽  
Vol 47 (1) ◽  
pp. 1-17 ◽  
Author(s):  
L. D. Hall ◽  
J. F. Manville ◽  
N. S. Bhacca

A detailed study has been made of both the 1H and 19F nuclear magnetic resonance (n.m.r.) spectra of a series of hexopyranosyl fluoride derivatives. Some of the 1H spectra were measured at 220 MHz. The 1H spectral parameters define both the configuration and the conformation of each of these derivatives. Study of the 19F n.m.r. parameters revealed several stereospecific dependencies. The 19F chemical shifts depend upon, (a) the orientation of the fluorine substituent with respect to the pyranose ring and, (b) the relative orientation of other substituents attached to the ring; for acetoxy substituents, these configurational dependencies appear to be additive. The vicinal19F–1H coupling constants exhibit a marked angular dependence for which Jtrans = ca. 24 Hz whilst Jgauche = 1.0 to 1.5 Hz for [Formula: see text] and 7.5 to 12.6 Hz for [Formula: see text] The geminal19F–1H couplings depend on the orientation of the substituent at C-2; when this substituent is equatorial JF,H is ca. 53.5 Hz and when it is axial the value is ca. 49 Hz.



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