Table 2. Theoretical parameters.

• V_mc is the molecular volume
• is the polarisability index
• is the hydrogen bond basicity parameter
• q_- is the absolute value of the most negative charge on the molecule
• is the hydrogen bond acidity parameter
• q₊ is the most positive charge on the hydrogens of the molecule

Note : higher values of or correspond to lower acidities/basicities.

Solvent	Vmc			q-		q+
Acetone	0.6233	0.0621	0.1619	0.2843	0.1285	0.0231
Acetonitrile	0.4617	0.0578	0.1822	0.0209	0.1378	0.0209
Dimethylacetamide	0.9115	0.0678	0.1547	0.3556	0.1343	0.0281
Dimethylformamide	0.7467	0.0674	0.1555	0.3566	0.1358	0.0570
Dimethylsulfoxide	0.6867	0.0787	0.1524	0.7202	0.1266	0.0488
Dioxan	0.8280	0.0681	0.1601	0.3282	0.1517	0.0319
Ethyl acetate	0.8676	0.0656	0.1685	0.3586	0.1314	0.0273
Hexamethylphosphoramide	1.7490	0.0772	0.1555	0.6308	0.1116	0.0309
Nitromethane	0.4723	0.0720	0.1698	0.3349	0.1182	0.0498
Propylene carbonate	0.8498	0.0691	0.1743	0.2865	0.1321	0.0452
Tetrahydrofuran	0.755	0.0653	0.1621	0.3285	0.1529	0.0210
Triethylphosphate	1.6213	0.0775	0.1645	0.5661	0.1105	0.0161