Role of steric factors in formation of O-H M hydrogen bonds with metallocenesстатья
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Дата последнего поиска статьи во внешних источниках: 24 марта 2017 г.
Аннотация:Molecular mechanics calculations of geometric parameters and energies of molecular complexes with a O-H...M hydrogen bond have been performed for osmocene and decamethylosmocene with three proton donors. The results of calculations demonstrated that when rings are methylated, steric hindrances to formation of this hydrogen bond increaser This is the reason for anomalously low formation constants of H-bonded Cp(2)*M molecular associates compared to CP(2)M associates.