Through space JFH spin–spin coupling constant transmission pathways in 2-(trifluoromethyl)thiophenol: formation of unusual stabilizing bifurcated CF⋯HS and CF⋯SH interactions

Experimental and theoretical evidences of formation of unusual bifurcated CF⋯HS hydrogen bonds and CF⋯SH stabilizing interactions and their implications to the observed through space JFH spin spin coupling in 2-(trifluoromethyl)thiophenol.

Unusual behaviour of the spin–spin coupling constant 1JCH upon formation of CH⋯X hydrogen bond

One-bond coupling constants 1JXY are usually used as a measure of the corresponding X⋯Y interatomic distances.

Does induced current density explain the C–H and C–F Perlin effects?

One-bond spin–spin coupling constant (SSCC) data may be useful in providing information on the stereochemistry and intramolecular interactions in molecules.

Interactions affecting 1JC–F SSCCs in neutral and ionic 2-, 3- and 4-fluoro-substituted piperidines: normal and reverse fluorine Perlin-like effect

We report a theoretical analysis of the 1JC–F spin–spin coupling constant (SSCC) in n-fluoropiperidines to find the dictating effects of 1JC–F and to obtain insight into the stereochemistry of organofluorine compounds using this SSCC.