A comparison between the selected parameters of the ligand and silver complex computed at the B3LYP level.
Parameter | Me-1 | iPr-1 | 2 (Cal.) | 2 (Exp.) |
---|---|---|---|---|
Ccarbene–N | 1.3714 | 1.3698 | 1.3709 | 1.3354 |
Ccarbene–N | 1.3729 | 1.3708 | 1.3720 | 1.3417 |
Ccarbene–N | 1.3729 | 1.3708 | 1.3720 | 1.3421 |
Ccarbene–N | 1.3714 | 1.3697 | 1.3732 | 1.3503 |
N–Ccarbene–N | 101.53 | 101.73 | 104.43 | 105.02 |
N–Ccarbene–N | 101.53 | 101.73 | 104.23 | 105.80 |
Ccarbene–Nim–C–CAc | −94.69 | −95.87 | −89.41 | −91.84 (5) |
Ccarbene–Nim–C–CAc | −94.71 | −96.02 | 90.66 | 95.18 (6) |