Table 2. Natural charges and Wiberg Bond Indices of cations [8]+–[10]+ determined by NBO analysis.
[8]+ (M = Au) | [9]+ (M = Ag) | [10]+ (M = Cu) | |
Natural charge | |||
M | 0.50 | 0.67 | 0.69 |
Mn | –0.56 | –0.60 | –0.71 |
B | 0.66 | 0.74 | 0.73 |
Wiberg bond indices (WBI) | |||
M–Mn | 0.14 | 0.10 | 0.10 |
M–B | 0.42 | 0.25 | 0.25 |
Mn–B | 0.77 | 0.88 | 0.85 |