Abstract
The 1H, 13C and 15N NMR spectroscopic properties of six thallium tris-(pyrazol-1-yl)borates, including a tetrakis derivative, were determined. The results in solution were necessary to understand those, more complicated, in the solid state. A collection of 205Tl– 15N and 205Tl– 13C couplings was measured in the latter state. Among those, a very large coupling constant (between 194 and 282 Hz) has been measured on the carbon at the position 4 of the pyrazole ring in several compounds and particularly for the cyclobutyl derivative [Tl(Tp Cbu)]. It has been assigned to a direct interaction of the 4-C–H ⋯ Tl type and related to the X-ray structures, when available.
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