Table 2.
Magnetic parameters of tetraethyl-substituted In radicals obtained from the analysis of the W-band EPR spectra and the results of DFT calculations
Radical | gxx | gyy | gzz | Axx (mT) | Ayy (mT) | Azz (mT) |
---|---|---|---|---|---|---|
In4d (pH 8.5) | 2.00860 | 2.00577 | 2.00214 | 0.45a | 0.48a | 3.51 |
Calculated | 2.00952 | 2.00590 | 2.00206 | 0.67 | 0.69 | 3.23 |
In4d (pH 1.2) | 2.00928 | 2.00590 | 2.00215 | 0.38a | 0.42a | 3.26 |
Calculated | 2.01001 | 2.00592 | 2.00206 | 0.60 | 0.68 | 2.87 |
Axx and Ayy values are evaluated from experimental W-band three-pulse electron spin echo envelope modulation spectra (data not shown) as described previously [42]