Structure and bonding analysis of germanones [(Eind)2GeO], [((Tbt))(Tip)GeO] and [R2GeO] (RÂ =Â Me, Ph): Significance of the dispersion interactions

Dispersion corrected quantum-chemical calculations of the germanones [(Eind)2GeO] (I), [((Tbt))(Tip)GeO] (II) and [R2GeO] (III, R = Ph; IV, R = Me) were performed to evaluate the effect of noncovalent interactions on the dramatic stability of isolated germanone [(Eind)2GeO]. The investigations have been carried at DFT, DFT-D3(BJ) and DFT-DDSC level with BP86, PW91, PBE density functionals. The D3(BJ) dispersion energy is largest for germanone [(Eind)2GeO] confirming its greatest stability.79