A quantum-chemical study of the complexing of singlet methylene and water

1.	We have used the extended Hückel method to examine the interaction of singlet methylene with water and found the existence of a molecular complex CH2·H2O with an energy of stabilization of 5.6 kcal/mole and a complex CH2·2H2O with an energy of stabilization of 2.1 kcal/mole, which tends to lose one water molecule during simultaneous approach of the other.
2.	The structure of these complexes is determined by the interaction of the unoccupied methylene p orbital with the lone-pair orbitals of the water molecules.