Influence of the steric bulk of a trityl group in the formation of molecular metallosilicates.

• Bulky silanol (Ph 3 CO)(i PrO) 2 Si(OH) was prepared as an alternative to (tBuO)3SiOH. • It was converted into three metalosilicates with lithium, aluminum and gallium. • All compounds were characterized by single-crystal X-ray diffraction. • Their electronic structure was studied using Hirshfeld atom refinement and QTAIM. • Ring-opening polymerization was used to compare the steric bulk of the silanols. The molecular silanol (Ph 3 CO)(i PrO) 2 Si(OH) was designed to evaluate the degree of steric bulk the trityl moiety imposes on the Si–OH group. The reactivity of the silanol was evaluated by the formation of three metallosilicates with lithium, aluminum, and gallium, and their molecular structures and the degree of association were determined. Hirshfeld atom refinement or DFT calculation, and QTAIM analysis of the electron density in all compounds were used to analyze the bonding situation in the metallosilicate moieties and determine the strength of the intermolecular hydrogen bonds formed by the silanol. Finally, ring-opening polymerization of ε-caprolactone was used as another criterion for the evaluation of the steric bulk imposed by the trityl group. [Display omitted] [ABSTRACT FROM AUTHOR]