The nuclear magnetic resonance spectra of pyrrole and [N-D]pyrrole

1969 ◽  
Vol 22 (6) ◽  
pp. 1199 ◽  
Author(s):  
GF Katekar ◽  
AG Moritz

The proton magnetic resonance spectrum at 60 MHz of pyrrole, spin- decoupled from 14N, has been studied under high resolution. Similar studies have been made on [N-D]pyrrole in which the proton spectrum was obtained simultaneously spin-decoupled from both the 14K and 2H nuclei. Analysis of the 13C-H spectra of pyrrole and [N-D]pyrrole, observed in natural abundance, gave values for all six proton-proton spin-spin couplings. Values for some of the couplings have been obtained directly and unambiguously from the spectra of samples of [S-H]pyrrole and [N- D]pyrrole in which the C-H protons have been predominantly exchanged for deuterium. The values for the couplings derived are J1,2 2.60, J1,3 2.45, J2,3 2.69, J2,4 1.44, J2,5 1.87, and J3,4 3.34 Hz.

1969 ◽  
Vol 24 (12) ◽  
pp. 2004-2009 ◽  
Author(s):  
Erkki Rahkamaa

AbstractA sub-spectral analysis of the high resolution proton magnetic resonance spectrum of 15N-pyrrole has been performed as an AA'BB'CX spin system. Absolute values of the proton-proton and nitrogen-proton couplings have been determined. It has also been concluded that all three nitrogen-proton couplings are negative. The parameters found in the analysis of the PMR spectra of normal and deuterated pyrroles, have also been briefly reported.


1958 ◽  
Vol 36 (9) ◽  
pp. 1302-1307 ◽  
Author(s):  
R. J. Abraham ◽  
J. A. Pople ◽  
H. J. Bernstein

The proton magnetic resonance spectrum of methyl mercaptan has been analyzed on the basis of the nuclear grouping AB3. The spectrum calculated for [Formula: see text] agrees very well with that observed.


1961 ◽  
Vol 14 (1) ◽  
pp. 64 ◽  
Author(s):  
RJ Abraham ◽  
HJ Bernstein

The high resolution proton magnetic resonance spectra of himgravine and himbacine have been obtained in CHCl3 solution at 60 Mc/s. The spectra are consistent with only one of the two possible structures proposed. Other information with regard to relative orientation of groups within the molecule has also been obtained.


An analysis has been made of the high-resolution nuclear-magnetic-resonance spectrum given by the hydrogen nuclei of 2:3-dichloropropene-l and cisand trans 1:3-dichloropropene-1. The spectra at 40 Mc/s of the 1:3-dichloropropenes were analyzed by means of the theory for ABX 2 developed here; the 16·2 Mc/s spectra were analyzed according to the ABC 2 theory by means of a digital computer. It is concluded that the ‘long-range’ spin-spin coupling constants between hydrogen nuclei on carbon atoms 1 and 3 of the 1 : 3-dichloropropenes are of opposite sign to the remainder. A correlation of these results with earlier work on butene-1 by Alexander (1958) leads to analogous conclusions for this molecule also.


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