Summary of the fitting parameters used to model actinide L3-edge EXAFS spectra from An[(tBuNO)py]4 (An = Pu, 1; Np, 2).
Compound | 1 | 2 |
---|---|---|
O coordination number | 4 (fixed) | 3.9(3) |
N(1) coordination number | 4 (fixed) | 3.9 (fixed) |
N(2) coordination number | 4 (fixed) | 3.9 (fixed) |
C coordination number | 4 (fixed) | 3.9 (fixed) |
σ 2 (O) | 0.004(1) | 0.002(1) |
σ 2 (N1) | 0.004(1) | 0.003(2) |
σ 2 (N2) | 0.003(2) | 0.001(4) |
σ 2 (C) | 0.004(4) | 0.002(7) |
An–OO–NtBuNC5 | 2.239(4) | 2.245(9) |
An–NO–NtBuNC5 | 2.496(5) | 2.528(14) |
An⋯NO–NtBuNC5 | 3.29(2) | 3.30(3) |
An···CO–NtBuNC | 3.41(3) | 3.45(4) |
S02 | 1.05(11) | 1.05 (fixed) |
E 0 | −2.4(7) | 2.9(6) |
Total variables used | 10 | 10 |
Independent variables available for the fitting range | 16.44 | 17.04 |