Table 2. Theoretical and Experimental VDEs and AEAs for AgGen– (n = 1–13).
| VDE | AEA | |||
|---|---|---|---|---|
| n | theor | exptla | Theor | exptla |
| 1 | 1.50(1.47) | 1.50(1.47) | ||
| 2 | 2.13(2.08) | 2.11 ± 0.08 | 2.08(2.05) | 1.97 ± 0.08 |
| 3 | 2.71(2.65) | 2.74 ± 0.08 | 2.55(2.51) | 2.50 ± 0.08 |
| 4 | 2.62(2.58) | 2.65 ± 0.08 | 2.34(2.30) | 2.39 ± 0.08 |
| 5 | 2.98(2.93) | 3.02 ± 0.08 | 2.62(2.58) | 2.73 ± 0.08 |
| 6 | 2.70(2.63) | 2.70 ± 0.08 | 2.37(2.35) | 2.43 ± 0.08 |
| 7 | 2.93(2.87) | 2.99 ± 0.08 | 2.45(2.37) | 2.71 ± 0.08 |
| 8 | 3.24(3.16) | 3.27 ± 0.08 | 2.75(2.67) | 2.97 ± 0.08 |
| 9 | 3.47(3.40) | 3.59 ± 0.08 | 3.07(3.02) | 3.06 ± 0.08 |
| 10 | 3.54(3.40) | 3.64 ± 0.20 | 2.98(2.94) | 3.22 ± 0.20 |
| 11 | 3.32(3.27) | 3.37 ± 0.20 | 3.05(2.99) | 3.06 ± 0.20 |
| 12 | 3.48(3.41) | 3.68 ± 0.20 | 3.19(3.31) | 3.34 ± 0.20 |
| 13 | 3.86(3.74) | 4.04 ± 0.20 | 3.56(3.48) | 3.45 ± 0.20 |
a
From ref (22).; The values in parentheses are calculated at the mPW2PLYP/aug-cc-pVTZ-pp.