Calculated adsorption geometries and simulated
AFM images of the
initial 1a, intermediate 4, and final product 3a of TNTP-tBu on Cu(110). (a, b, e, f, i,
j) Top and side views of the calculated adsorption geometries of an
initial molecule (a, b), an intermediate (e, f), and a final product
molecule (i, j) on Cu(110). The C, H, first layer Cu, and bulk Cu
atoms are represented by the black, blue, violet, and red spheres,
respectively. (c, g, k) Simulated constant-height AFM images of an
initial molecule (c), an intermediate (g), and a final product molecule
(k) adsorbed on Cu(110). (d, h, l) Experimental constant-height AFM
images of an initial molecule (d), an intermediate (h), and a final
product molecule (l) adsorbed on Cu(110). Imaging parameters: images
(d, h, and l) are the same as Figure 2g, h, and i.