Fig. 4: The structure and bonding of 2a, a monomeric stibine oxide.
From: Isolation, bonding and reactivity of a monomeric stibine oxide
a, Thermal ellipsoid plot of 2a at the 50% probability level. Colour code: Sb, teal; O, red; C, black; H, grey. b, Surface plots (isovalue = 0.05) depicting the Sb–O bonding NLMO (left) and overlap of O lone pair and Sb–C antibonding pre-orthogonalized NLMOs (right). Colour code: Sb, teal; O, red; C, grey; H, white. c, Contour plot of ρ overlaid with the gradient field lines of ρ for the Sb–O bond. d, Contour plot of ∇2ρ for the Sb–O bond, with positive values contoured with solid lines and negative values with dashed lines. e, Values of ρ (e− Å−3), ∇2ρ (e− Å−5) and ellipticity ε for 2a–c along the Pn–O bond paths, with Pn at the left and O at the right along the horizontal axis. The bond length is normalized to 1.00. The location of the (3, −1) critical point is shown with a dashed vertical line.
