Offsets between hyperconjugations, p→d donations and Pauli repulsions impact the bonding of E–O–E systems. Case study on elements of Group 14

Abstract

The different structures of organic and inorganic ethers can be explained by a new bonding image based on offsets between secondary attractive interactions and vicinal Pauli repulsions, describing a wide range of E–O–E systems (E = C, Si, Ge, Sn).

In silico modelling of chelate stabilized tetrylene derivatives

“…These differences can be explained in terms of secondary electronic interactions that occur within E-O bonds, such as LP(O)→σ*(E–R) hyperconjugations and LP(O)→d(E) back-donations, and which according to previous theoretical studies decrease drastically from Si to Sn, or Pb in this case. 30–32…”

“…These differences can be explained in terms of secondary electronic interactions that occur within E-O bonds, such as LP(O)/s*(E-R) hyperconjugations and LP(O)/d(E) back-donations, and which according to previous theoretical studies decrease drastically from Si to Sn, or Pb in this case. [30][31][32] In order to gain insights into the nature of the X-E(II) coordinate bonds (X = O or S; E = Si, Ge, Sb, Pb), Quantum Theory of Atoms in Molecules (QTAIM) analyses were carried out on several model systems. Based on this technique, the nature of bonds is described in terms of the topology of the electron density.…”