Fig. 2: The synthesis and computational analysis of stannylene 1.
From: Synthesis and redox catalysis of Carbodiphosphorane ligated stannylene
A Synthetic approach of stannylene 1. B Molecular structure of 1 in the solid state (Hydrogen atoms and solvent molecules are omitted for clarity. Thermal ellipsoids are at the 50% probability level). C Selected frontier molecular orbital of 1. D Electron localization function analysis of C1–Sn–C2 plane in 1. E The contour plot of the Laplacian of electron density (∇2ρ(rc)) in the C1–Sn–C2 plane of 1. BCP: bond critical point; ρ(rc): electron density; ∇2ρ(rc): Laplacian of electron density; H(rc): total electron energy density; ε(rc): ellipticity of electron density. All computational analysis was calculated at the BP86-D3(BJ)/def2-TZVP level.
