Table 1 Selected bond distances (in Å) of all species for SiCl 4 half-reaction
From: Stepwise mechanism and H2O-assisted hydrolysis in atomic layer deposition of SiO2 without a catalyst
Species | Si-O | O-H | Si-Cl | H-Cl |
---|---|---|---|---|
Im1A1 | 2.01 | 1.03 | 2.11 | 2.62 |
TS1A1 | 1.83 | 1.08 | 2.24 | 2.83 |
Im2A1 | 1.79 | 1.13 | 2.24 | 3.21 |
TS2A1 | 1.77 | 1.02 | 2.94 | 2.01 |
Im3A1 | 1.62 | 4.86 | 4.88 | 1.29 |
PA1 | 2.95 | 0.97 | 2.05 | 3.81 |
TS1A2 | 2.10 | 1.00 | 2.11 | 2.95 |
Im1A2 | 1.83 | 1.02 | 2.27 | 2.76 |
TS2A2 | 1.79 | 1.14 | 2.50 | 1.65 |
Im2A2 | 1.62 | 3.44 | 4.02 | 1.29 |