Estimation of the Dissociation Energies of Donor–Acceptor Complexes of Group 13–15 Element Compounds within the Framework of the Statistical EC Model
摘要
Abstract
The parameters of 18 Lewis bases of group 13–15 elements E'H2EH2⋅LB (E' = P, As, Sb; E = B, Al, Ga; LB = SMe2, NMe3) and 18 Lewis acids of group 13 elements ER3 (R = H, F, Cl, Br, Me, C6F5) were optimized using a statistical approach within the electrostatic-covalent (EC) model. The EC model allows prediction of dissociation energies of donor-acceptor complexes with an absolute median deviation of ±4 kJ mol–1, but this approach is not applicable to estimation of donor-acceptor bond energies.