6.3 Reaction with Alcohols
87
Fig. 6.5 Reaction coordinates of “Co + + NH 3 (/2NH 3 )” (a), and “Co 2
+ + NH 3 (/2NH 3 )” (b),
and “Co 3
+ + NH 3 (/2NH 3 )” (c). Atoms in cyan, blue, and white color represents Co, N, and H,
respectively. For the I4 intermediates, the NPA charge distributions of Co atoms in the Co 2,3 (NH 3 ) 2
+
are displayed. Energies are in eV and bond lengths are in angstrom
87
Fig. 6.5 Reaction coordinates of “Co + + NH 3 (/2NH 3 )” (a), and “Co 2
+ + NH 3 (/2NH 3 )” (b),
and “Co 3
+ + NH 3 (/2NH 3 )” (c). Atoms in cyan, blue, and white color represents Co, N, and H,
respectively. For the I4 intermediates, the NPA charge distributions of Co atoms in the Co 2,3 (NH 3 ) 2
+
are displayed. Energies are in eV and bond lengths are in angstrom