ROLE OF STERIC FACTORS IN FORMATION OF O-H-M HYDROGEN-BONDS WITH METALLOCENES

Molecular mechanics calculations of geometric parameters and energies of molecular complexes with a O-H...M hydrogen bond have been performe d for osmocene and decamethylosmocene with three proton donors. The re sults of calculations demonstrated that when rings are methylated, ste ric hindrances to formation of this hydrogen bond increaser This is th e reason for anomalously low formation constants of H-bonded Cp(2)M m olecular associates compared to CP(2)M associates.