A mechanistic analysis of the tetrasilyl-substituted trimetallaallenes, >E
E
E< (E = C, Si, Ge, Sn, and Pb)†
Abstract
The potential energy surfaces for the chemical reactions of tetrasilyl-substituted trimetallaallenes containing two cumulative EE double bonds, where E = C, Si, Ge, Sn, and Pb, are studied using density functional theory (B3LYP/LANL2DZ). Two types of chemical reactions, methanol addition and intramolecular 1,2-silyl migration, are used to study the reactivity of these
C
C< ≪ >Si
Si
Si< < >Ge
Ge
Ge< < >Sn
Sn
Sn< < >Pb
Pb
Pb<. That is, the heavier the atomic weight of the group 14 atom (E), the more reactive is the >E
E
E< towards chemical reactions. Electronic (due to the