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. 2019 Mar 6;9(13):7543–7550. doi: 10.1039/c9ra00281b

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)