American Chemical Society, The Journal of Physical Chemistry A, 33(117), p. 7939-7945, 2013
DOI: 10.1021/jp402618c
Full text: Unavailable
The 1H NMR spectra of the title compound in non polar and polar solvents and theoretical calculation of Spin-Spin Coupling Constants (SSCC) show that TSJFHf SSCC, where TS stands for "Through-Space", in polar solvents is amenable to measurement only in the trans conformer. The mechanisms for transmission pathways to such unusual SSCC are rationalized in terms of its molecular electronic structure. It is stressed that such result calls for some caution when intending to use TSJFH as a probe to detect spatial proximity between fluorine and hydrogen atoms.