Crystal structure of dibenzyldimethylsilane

In the title compound, C16H20Si, a geometry different from an ideal tetrahedron can be observed at the Si atom. The bonds from Si to the benzylic C atoms [Si—C = 1.884 (1) and 1.883 (1) Å] are slightly elongated compared to the Si—Cmethylbonds [Si—C = 1.856 (1) and 1.853 (1) Å]. The Cbenzyl—Si—Cbenzylbond angle [C—Si—C = 107.60 (6)°] is decreased from the ideal tetrahedral angle by 1.9°. These distortions can be explained easily by Bent's rule. In the crystal, molecules interact only by van der Waals forces.

SEARCHING FOR NEW MEMBERS OF C70 HOMOFULLERENES BY FIRST-PRINCIPLES COMPUTATIONS: BENT'S RULE AT WORK ON C70 SURFACE

We carried out systematic density functional theory computations to search for new members of C70 homofullerenes inspired by the Bent's rule. By substituting CH2 by CF2 , we identified five experimentally accessible C70 homofullerenes, among which one member has different bonding character as its CH2 counterpart (where the closed three-membered ring is formed by CH2 addition). This unique C70 homofullerene is expected to be synthesized very smoothly using the standard solution phase chemistry, due to its high thermodynamic stability and the rather high local reactivity of the carbon bond attached to the CF2 addend.