CONFORMATIONAL ENERGIES OF TRANS-1,4-DIFLUORO- AND TRANS-1-CHLORO-4-FLUOROCYCLOHEXANE. THE ROLE OF ELECTROSTATIC INTERACTIONS.

Article abstract of DOI:10.1016/S0040-4039(00)96651-6

The conformational energies of the title compounds were extrapolated from solution ¹⁹F NMR measurements to vapour phase dielectric medium.Vapour phase values were satisfactorily reproduced by MM2 computations including electrostatic interaction