Table 7 Au(S2O3)23– Mulliken population analysis on kaolinite (001) surface.
原子 | S orbit | P orbit | Total (e) | Charge (e) | |
|---|---|---|---|---|---|
S-1 | Before adsorption | 1.21 | 2.63 | 3.84 | 2.16 |
After adsorption | 1.25 | 2.66 | 3.92 | 2.08 | |
O-289 | Before adsorption | 1.89 | 5.12 | 7.00 | − 1.00 |
After adsorption | 1.89 | 5.04 | 6.93 | − 0.93 | |
H-76 | Before adsorption | 0.52 | – | 0.52 | 0.48 |
After adsorption | 0.58 | – | 0.58 | 0.42 | |
O-196 | Before adsorption | 1.84 | 5.23 | 7.06 | − 1.06 |
After adsorption | 1.84 | 5.21 | 7.04 | − 1.04 |
