Dear,

I hope this mail finds you well. We are currently working with protic ionic liquids (PILs) to produce nanocellulose. It is of great interest to determine Kamlet-Taft parameters in ionic liquids. However, experimental determination of these parameters has been challenging as some of the ILs are solids at room temperature.

Therefore, through literature research, we came across the paper titled "Extended Scale for the Hydrogen-Bond Basicity of Ionic Liquids," DOI: 10.1039/b000000x where the authors used the COSMO-RS program to determine various physicochemical parameters in ILs like the hydrogen-bond basicity (β).

In this case, to determine the hydrogen-bonding energy (EHB) in the ionic liquids we currently use an equimolar amount, using COSMO-RS. However, once we obtain the results, we are uncertain about which energy value to consider, as the program provides the EHB values for both the cation and the anion. I understand that the program uses the equation shown below for the calculation, but we are unsure whether we should consider the cation or the anion energy (obtained from COSMO-RS) to determine EHB of the IL. For us, it should be the same as is found when is used common ILs, like [c4mim][tf2n] or [c4mim][PF6]. We are not sure if this difference in the EHB is related to the protic nature of these IL or whether we are missing something.  

Thank you in advance for any assistance you can provide.

Best regards,