Complexes | Donors (i) | ED (e) | Acceptors (j) | ED (e) | E2 (kcal mol−1) |
Arte—H2O | LP(1)O21 | 1.9711 | σ* (O43-H44) | 0.0157 | 1.76 |
LP(2)O21 | 1.8434 | σ* (O43-H44) | 0.0157 | 4.58 | |
Quin—H2O | LP(1)O16 | 1.9615 | σ* (O49-H50) | 0.0011 | 0.15 |
LP(2)O16 | 1.8593 | σ* (O49-H50) | 0.0011 | 0.20 | |
A(B)—H2O | LP(1)O15 | 1.9705 | σ* (O132-H133) | 0.0004 | 113.26 |
LP(2)O15 | 1.8722 | σ* (O132-H133) | 0.0004 | 232.11 | |
C-—H2O | LP(1)O84 | 1.9675 | σ* (O138-H140) | 0.0003. | 1.24 |
LP(2)O84 | 1.8747 | σ* (O138-H140) | 0.0003 | 0.51 | |
D—H2O | LP(1)O26 | 1.9688 | σ* (O133-H135) | 0.0004 | 0.07 |
LP(2)O26 | 1.8803 | σ* (O133-H135) | 0.0004 | 166.54 | |
E—H2O | LP(1)O31 | 1.9692 | σ* (O148-H149) | 0.0129 | 0.96 |
LP(2)O31 | 1.8803 | σ* (O148-H149) | 0.0129 | 0.30 | |
F—H2O | LP(1)O24 | 1.9679 | σ* (O144-H146) | 0.0009 | 2.30 |
LP(2)O24 | 1.8686 | σ* (O144-H146) | 0.0009 | 26.67 | |
G—H2O | LP(1)O21 | 1.9711 | σ* (O138-H139) | 0.0150 | 0.44 |
LP(2)O21 | 1.8930 | σ* (O138-H140) | 0.0005 | 1.25 | |
H—H2O | LP(1)O128 | 1.9657 | σ* (O150-H152) | 0.0015 | 0.16 |
LP(2)O128 | 1.8717 | σ* (O150-H152) | 0.0015 | 0.09 | |
J—H2O | LP(1)O23 | 1.8700 | σ* (O133-H135) | 0.0369 | 820.20 |
LP(2)O23 | 1.9625 | σ* (O133-H134) | 0.0013 | 0.34 | |
K—H2O | LP(1)O6 | 1.9668 | σ* (O131-H132) | 0.0004 | 49.13 |
LP(2)O6 | 1.8764 | σ* (O132-H132) | 0.0004 | 0.75 | |
L—H2O | LP(1)O23 | 1.9755 | σ* (O136-H137) | 0.0048 | 0.19 |
LP(2)O23 | 1.8755 | σ* (O136-H137) | 0.0048 | 0.06 | |
M—H2O | LP(1)O24 | 1.9694 | σ* (O133-H135) | 0.0004 | 0.09 |
LP(2)O24 | 1.8702 | σ* (O133-H135) | 0.0004 | 3.24 | |
N—H2O | LP(1)O14 | 1.9681 | σ* (O135-H136) | 0.0007 | 1.35 |
LP(2)O14 | 1.8697 | σ* (O135-H137) | 0.0283 | 1.88 |