Table 4.
Ion-oxygen distances and coordination numbers of Na+ in water
Na1 | Na2 | Na3 | Na4 | Ref. 71 | Ref 72 | Ref 73 | |
---|---|---|---|---|---|---|---|
IOD (Å) | 2.25 | 2.42 | 2.25 | 2.25 | 2.50 | 2.35 – 2.38 | 2.38 |
N(r) | 5.6 | 5.90 | 5.60 | 5.90 | 6.20 | NA | 6.00 |
The table shows the position of the first peak of the g(r) (IOD) and the corresponding coordination number at that distance (N(r)) obtained from simulations Na1, Na2, Na3 and Na4. A qualitative comparison is made with data presented in references 74 (Jensen and Jorgensen), 75 (Joung et al.) and 76 (Gladich et al.).