AB-INITIO PREDICTIONS OF THE STRUCTURES AND ENERGETICS OF SOME HYDROGEN-BONDED COMPLEXES OF METHANOL AND DIMETHYLAMINE WITH DIMETHYL ETHER AND TRIMETHYLAMINE

The optimized structures of the four complexes formed from methanol an d dimethylamine with dimethyl ether and trimethylamine, containing OH ... O, OH ... N, NH ... O and NH ... N hydrogen bonds, have been eluci dated by means of a series of ab initio calculations using the GAUSSIA N-92 computer program at the Hartree-Fock level with the 6-31G* basis set. The interaction energies and hydrogen-bond enthalpies, as well a s some related molecular properties, have been determined and are disc ussed in the light of the natures of the four types of hydrogen bond p resent in these complexes.