Table 1 Coordination Numbers N(r) for Benzene-Benzene, Methanol-Methanol and Benzene-Methanol

From: Strong structuring arising from weak cooperative O-H···π and C-H···O hydrogen bonding in benzene-methanol solution

 

1st peak position /Å Pure / 1:19 Mix

2nd peak position/Å Pure/1:19 Mix

Integration limit /Å

Coordination number ± 0.1 Pure/mix

Benzene–Benzene

5.88 / 5.80

10.10 / 9.55

7.8

12.8/1.2

Methanol–Methanol

4.05 / 4.10

7.86 / 7.84

5.6

11.0/10.0

Benzene–Methanol

5.20

8.65

6.8

–/16.4

  1. Coordination numbers obtained by integrating the NCoM-CoM(r) up to the first minimum of the CoM—CoM partial distribution functions of Fig. 2. The coordination numbers are reported for pure benzene, pure methanol and the 1:19 benzene-methanol mixture, and indicate the average number of neighbouring molecules within the first solvation shell (see Supplementary Note 1).
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