Quantum-Chemical Calculation of Alkoxy(hydroxy)(ethyl acetoacetate)alumoxane Geometry
Using self-consistent field methods (Hartree-Fock method) and semiempirical PM3 in the HyperChem 6.01 software package, the geometric parameters of two probable molecular structures of amorphous alkoxy(hydroxy)(ethyl acetoacetate)alumoxane were calculated. Bond lengths, valance angles, and the results of quantum-chemical calculations of the total energy for two molecular structures of amorphous alkoxy(hydroxy)(ethyl acetoacetate)alumoxane were presented.