| Cyclic voltammetry | Ep,a1 = −1.70 V, Ep,a2 = −2.43 V, Ep,c = −0.53 V vs. Fc+/0; ΔEp ≈ 1.2 V |
|---|---|
| Average Co–Npy bond length | 2.079 Å |
| Average pyridine C–N bond length | 1.340 Å |
Donghyun Jeong, Jinwoo Jung, Liviu M. Mirica. “Mechanistic insights into cobalt-catalyzed Kumada C(sp2)-C(sp2) cross-coupling enabled by high-denticity cobalt(I) intermediates.” ChemRxiv (). https://doi.org/10.26434/chemrxiv.15007451/v1
The main paper refers to supporting information, but no separate supporting information file was found among the files available from the ChemRxiv record
| Selected bond lengths (Å) | Co–C1:1.923(1), Co–C2:1.958(1), Co1–N1:2.007(1), Co1–N3:1.962(1), Co1–N4:2.378(1) |
|---|---|
| τ5 | 0.26 |
| Effective magnetic moment (Evans method) | μeff = 2.4 μB |
| X-band EPR (frozen THF, 77 K) | g values of [2.53, 2.23, 2.00], together with resolved hyperfine coupling to the ⁵⁹Co nucleus (I = 7/2, ACo = [200, 272, 331] MHz) and superhyperfine coupling to a N donor (I = 1, AN = [83, 65, 2] MHz) |
| Selected bond lengths (Å) | Co–Cl1:2.274(1), Co–N1:1.966(2), Co–N2:2.368(2), Co–N3:1.978(2), Co–N4:2.398(2) |
|---|---|
| Effective magnetic moment | μeff = 3.7 μB |
| EPR | EPR-silent |
| UV–vis (0.2 mM, THF, room temperature, N2) | 405 nm (ε = 2010 M⁻¹ cm⁻¹), 455 nm (2410 M⁻¹ cm⁻¹), 605 nm (3060 M⁻¹ cm⁻¹) |
| Average Co–Npy bond length | 1.972 Å |
| Average pyridine C–N bond length | 1.358 Å |
| Selected bond lengths (Å) | Co–C1:2.011(2), Co–N1:1.986(2), Co–N2:2.406(2), Co–N3:1.994(2), Co–N4:2.428(2) |
|---|---|
| Effective magnetic moment | μeff = 3.8 μB |
| UV–vis | 488 nm (ε = 2980 M⁻¹ cm⁻¹), 650 nm (4500 M⁻¹ cm⁻¹) |
| Average Co–Npy bond length | 1.990 Å |
| Average pyridine C–N bond length | 1.363 Å |
| Selected bond lengths (Å) | Co–Cl1:2.434(7), Co–Br1:2.421(8), Co–N1:2.097(4), Co–N2:2.410(4), Co–N3:2.087(4), Co–N4:2.375(4) |
|---|
| Selected bond lengths (Å) | Co–C1:2.020(7), Co–Br1:2.484(1), Co–N1:1.997(3), Co–N2:2.439(3), Co–N3:1.939(3), Co–N4:2.421(3) |
|---|---|
| X-band EPR (frozen THF, 77 K) | g values of [2.23, 2.68, 1.97], accompanied by resolved hyperfine coupling to the ⁵⁹Co nucleus (I = 7/2, ACo = [181, 253, 11] MHz) and superhyperfine coupling to a N donor (I = 1, AN = [11, 59, 6] MHz) |
| Effective magnetic moment | μeff = 2.4 μB |
| GC–MS (THF-d₈) | the molecular ion peak of 4-methoxybenzene (4-OMePh) shifted by +1 m/z unit (i.e., 4-OMePh-d₁) |
|---|