Table 6.

Calculated coordination numbers and numbers of the solute-solvent hydrogen bonds

	(N)H+/Owat	(N)H/Owat	N/Hwat	(N)H+/Nacn	(N)H/Nacn	H+/ClDCM	nHBa
Water
NMpt	1.0	1.0b	0.7				0.9 (−9.5)
							2.9 (−6.5)d
NMps	1.3c	1.6b	0.1				2.4 (−9.0)
							4.2 (−6.0)d
CH3CN
NMpt				1.5	1.4b		1.1 (−12.0)
							8.9 (−5.0)d
NMps				1.1c	2.0b		3.0 (−10.5)
							7.7 (−5.5)d
CH2Cl2
NMpt						2.5	---
NMps						2.7c	---

Radial distributions were considered from infinitely solution models.

^aValues in parentheses indicate the upper limit for the integration of the solute-solvent pair energy distribution functions.

^bEquatorial hydrogen.

^cAxial hydrogen.

^dTotal number of strongly bound solvent molecules, as calculated by integration until the inflection point of the pedf.