Table 1.
Nanodrop hydrogen atom affinities, absolute standard hydrogen electrode potentials, and related values.
| 〈x〉[a,f] | 〈y〉[b,f] |
E(I)[c,f] [kcal mol−1] |
E(II)[d,f] [kcal mol−1] |
HA[e,f] [kcal mol−1] |
ΔHhyd(M2+)[g] [kcal mol−1] |
ΔHabs(SHE)[h] [eV] |
ΔGabs(SHE)[i] [eV] |
|
|---|---|---|---|---|---|---|---|---|
| Mn | 12.0(1) | 10.2(1) | 138.6(3) | 116.0(2) | 22.5(3) | 13.8(6) | −4.00 | −4.25 |
| Fe | 11.2(1) | 10.4(1) | 128.0(3) | 118.5(7) | 9.6(7) | 12.6(6) | −4.04 | −4.30 |
| Co | 12.2(1) | 10.4(1) | 42.0(2) | 118.3(5) | 23.6(6) | 12.9(6) | −4.05 | −4.31 |
| Ni | 13.1(1) | 10.3(1) | 154.0(2) | 117.3(3) | 36.6(4) | 13.4(6) | −4.03 | −4.29 |
| Cu | 16.3(1) | 10.6(1) | 206(1) | 121.1(3) | 85(1) | 10.6(6) | −4.07 | −4.33 |
| Zn | 11.6(1) | 10.4(1) | 134.6(2) | 118.9(6) | 15.7(6) | 11.9(6) | −4.04 | −4.29 |
| Mg[j] | – | 10.2(1) | – | 115.8(5) | >8.6 | 14.3(6) | −4.01 | −4.27 |
| Ca | 10[k] | 10.2(1) | >113 | 116.0(3) | >8.6 | 14.7(6) | −4.03 | −4.29 |
| Sr | 10.1(1) | 10.2(1) | >114.3 | 115.8(3) | >8.6 | 15.2(6) | −4.04 | −4.30 |
The average number of water molecules lost through pathway I, 〈x〉, upon EC by [M(H2O)24]2+.
The average number of water molecules lost through pathway II, 〈y〉, upon EC by [M(H2O)24]2+.
Enthalpies of Equation (4), E(I), obtained for each [M(H2O)24]2+.
Enthalpies of Equation (5), E(II), obtained for each M(H2O)242+.
Hydrogen atom affinities (HA) of [MOH(H2O)23]+.
Error range is propagated from the signal-to-noise ratio in each corresponding mass spectrum.
M2+ solution hydrolysis enthalpies, ΔHhyd(M2+), from reference [59].
Enthalpy (ΔHabs) of the absolute SHE obtained for each M2+ ion.
Free energy (ΔGabs) of the absolute SHE obtained for each M2+ ion.
Products resulting from pathway I were not observed for M = Mg.
Only the x = 10 product was observed for the pathway I reaction for M = Ca.