Table 1 Aromaticity evaluations of the cation moieties of complexes 1–8
From: Multiyne chains chelating osmium via three metal-carbon σ bonds
Complex | NICS(1)zz (ppm) (A/B) | Complex | ASE (kcal/mol) |
|---|---|---|---|
1 ′ + | –17.3/–14.3 | 1 + | 29.5 |
2′ + | –17.6/–14.1 | 2 + | 26.7 |
3′ + | –17.7/–14.3 | 3 + | 14.6 |
4′ + | –17.2/–15.2 | 4 + | 20.8 |
5′ + | –13.6/–8.0 | 5 + | 25.5 |
6′ + | –16.0/–6.8 | 6 + | 25.8 |
7′ + | –16.2/–6.7 | 7 + | 14.1 |
8′ + | –17.5/–5.3 | 8 + | 21.7 |
