| Cyclooctadiene | [Rh(µ-Cl)(COD)]2 | [Ir(µ-Cl)(COD)]2 | |||||||||
| Experiment | Calculated | Experiment | Calculated Frequency | Experiment | Calculated Frequency | ||||||
| Mode | IR | Raman | Frequency | IR | Raman | D2h | D2 | IR | Raman | D2h | D2 |
| ν(C-H)a | 3005 (s) | 3008 (s) | 3007 (26.19) | 2994 (s) | 3005 (7.0) | 3004 (5.0) | 2975 (s) | 2988 (16.0) | 2987 (27.1) | ||
| ν(C=C)b | 1659 (w) | 1672 (5.1) | 1468 (m) | 1488 (0.18) | 1494 (6.7) | 1448 (w) | 1462 (0.11) | 1469 (0.6) | |||
| ν(C-H)c | 1407 (w) | 1403 (0.5) | 1370 (w) | 1384 (0.3) | 1386 (0.2) | 1362 (w) | 1376 (0.3) | 1378 (0.2) | |||
| ν(C-H)d | 1234 (w) | 1238 (vw) | 1231 (0.0) | 1227 (w) | 1222 (1.0) | 1196 (5.0) | 1230 (w) | 1217 (0.0) | 1191 (1.0) | ||
| ν(C-H)f | 824 (w) | 824 (w(sh)) | 834 (3.27) | 880 (m) | 888 (0.9) | 881 (0.9) | 916 (m) | 930 (0.7) | 922 (0.8) | ||