The 19F and 1H Nuclear Magnetic Resonance Spectra of 2-Thienylcarbonyl Fluoride and 2-Thiazolylcarbonyl Fluoride

1971 ◽  
Vol 49 (7) ◽  
pp. 1146-1148 ◽  
Author(s):  
Kjeld Schaumburg

The preparation of 2-thienylcarbonyl and 2-thiazolylcarbonyl fluorides from the corresponding carboxylic acids is described. The n.m.r. spectroscopic parameters are determined and compared with experimental data for similar systems. Theoretical values for the coupling constants have been obtained in the CNDO/2 approximation and they are compared with the experimental data.

Some general properties of ABCX -type spectra are discussed. It is shown that it is possible to deduce from such spectra the relative signs of all inter-nuclear coupling constants. Analyses are presented of the hydrogen (proton) spectra from the vinyl groups of vinyl fluoride and 3-methylbut-l-ene, and of the fluorine spectrum of the former molecule. It is shown that all HF coupling constants in vinyl fluoride are of the same sign as the cis and trans HH coupling constants.


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