An 1H and 13C NMR spectroscopic study of the structure of potassium and thallium salts of tris- and tetrakis-(pyrazol-1-yl) borates in solution. Some 13C11B and 13C205Tl residual coupling constants

Add time:07/22/2019    Source:sciencedirect.com

The 1H and 13C NMR spectra of 18 tris- and tetrakis-pyrazolylborates in the form of potassium or thallium salts have been recorded. Four of these compounds are new. The results are discussed with regard to two main aspects: coupling constants with 205Tl and positional isomerism of the pyrazole substituents. Most borates are symmetric compounds (all the pyrazole rings being identical isomers) corresponding to less hindered structures (all 3-aryl, 3-i-propyl-4-bromo, 3-t-butyl-5-methyl or 3-t-butyl-5-i-propyl pyrazoles). Only one derivative, potassium hydrotris(2,4,6-trimethylphenylpyrazol-1-yl)borate 5, does not fit this pattern, being either a 3/3/3/ or a 3/3/5 isomer.

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