Table 1. CF Parameters for 1 and 2 Determined by Fitting Magnetometry Data Reported in Reference (29); The Optical CF Parameters in the First Column Are Taken from Reference (42)a.
| 1 (opt.) | 1 (mag.) | 2b | |
|---|---|---|---|
| B02 | –2485 | –3129(19) | –810(60) |
| B04 | 1323 | 1980(20) | 1230(40) |
| B06 | 555 | 484(11) | 484c |
| B66 | –1956 | –1760(60) | –1760c |
| k | – | 0.98c | 0.98c |
All CF values are in units of cm–1. λ was fixed at 380 cm–1, which is 90% of the optimized free ion value.43
Fit includes an empirical TIP component of 7.4 × 10–4 emu mol–1. The exchange coupling, j, was set to 10,000 cm–1.
Fixed during the fit.