The influence of carbon hybridization on coupling constants across CX⋯ClF dihalogen bond: A computational study

- Similar to |ΔE|, 1XJXCl and |2XJXF| increase as follows: C(sp3) > C(sp2) > C(sp).
- An opposite trend is observed for 1JClF.
- Contrary to 1JClF, 1XJXCl and |2XJXF| increase by shortening CX⋯ClF distance.
- The 1JClF is enhanced by increasing bond order of ClF.
- 1JClF is amplified/diminished by increasing covalent/ionic character of ClF bond.