CONFORMATIONAL STUDY ON THE BINARY MIXTURE ACETONE-METHANOL INVOLVINGH-BONDING

A conformational study on the 1:1 binary complex of acetone-methanol i nvolving hydrogen bonding has been carried out using ab initio calcula tions on three isomers. The optimization uses a 3-21G basis set and th e single run calculation is done at the 4-31G and 6-31G basis set leve ls. The circular double hydrogen bonded six membered structure is foun d to be stable. The calculated dipole moment is compared with the expe rimental value. The dipole moment of the system was measured at three microwave and one r.f. frequencies using Guggenhiem's method.