Quantum chemical and statistical thermodynamic investigations of anesthetic activity. 3. The interaction between CH4, CH3Cl, CH2Cl2, CHCl3, CCl4, and an O—H … O hydrogen bond

Abstract

The equilibrium for a water dimer (modelling an O—H … O hydrogen bond in a biomolecule) interacting with CH4, CH3Cl, CH2Cl2, CHCl3, or CCl4 is examined by quantum chemical and statistical thermodynamic means. It is shown that the presence of an acidic hydrogen in the molecule as well as its relatively high polarizability are the necessary conditions for anesthetic activity.