Molecular structure of complexes with bifurcated hydrogen bond: IV. Solvate H-complexes of N-methyltrifluoromethanesulfonamide in aprotic protophilic media

Abstract

Analysis of the IR spectra of N-methyltrifluoromethanesulfonamide, as well as quantum-chemical calculations of solvate complexes of its monomer and open-chain dimer have demonstrated inadequacy of the model assuming the presence in protophilic solvents of a 1:1 monomer H-complex only. A model is suggested, which is based on an equilibrium between the 1:1 monomer H-complexes and open-chain dimer complexes of variable composition. The proposed model is much better consistent with experimental data.