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