Fig. 4: Structural model for the conformation of TPBCC on Ag(111). | Communications Chemistry

Fig. 4: Structural model for the conformation of TPBCC on Ag(111).

From: Structural characterisation of molecular conformation and the incorporation of adatoms in an on-surface Ullmann-type reaction

Fig. 4: Structural model for the conformation of TPBCC on Ag(111).

a Model showing twisting of TPBCC aryl end groups around axes of rotation (orange) parallel to the (111) plane and the plane of the molecule; Θ—dihedral angle. b Side view of twisted TPBCC model. Arrows show three different heights of carbon atoms above the surface: above (purple), below (green) and level with (blue) the molecular plane (dashed cyan line). c Argand diagram showing Cf and Cp values for aromatic carbon atoms in TPBCC. XSW results (red) with a model for twisted TPBCC (Θ = 30°) overlaid. Dashed arrows show vectors for carbon atoms at the three different heights above the surface (colours match those in b), with the resultant vector shown in black. d Argand diagram showing model of organometallic carbon atoms in TPBMO, based on measurements of Cf and Cp. Both argand diagrams show the resultant vector Cf and Cp values in bottom right.

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