H2 pKa

User 870ab5b546

25-03-2011 13:57:22

JChem does not provide a pKa value for H2 or a dynamic pKb value for H.

User 25d107bd42

28-03-2011 06:40:17

Hi Bob, two questions here:


What are the experimental values for the pKa of H2 or the pKb of H - ?


Which solvens for these values ?


Regards, Hans-Ulrich

User 870ab5b546

28-03-2011 12:48:53

David Evans' pKa table says "~36" in H2O.  He doesn't give a reference.  I haven't found a reference for it in a cursory Web or SciFinder search.

User 25d107bd42

29-03-2011 06:39:19

Hi Bob,


thank you for the information and especially for the table. There is the sentence below the value for H2 pKa ~36: "Values for ... water > 14   ... were extrapolated using various methods". I will discuss this topic with my colleagues.


Best regards, Hans-Ulrich

ChemAxon e08c317633

23-06-2011 08:50:52

Thank you for all the information. We will implement this in a future release.


Zsolt

User 851ac690a0

04-05-2012 13:48:22

Hi,


 


The pKa value of H2  in water , pKa = 22.0  ± 2.   


Reference: Phys. Chem.Chem.Phys., 2001, 3, 2086-2090


 


Jozsi

User 870ab5b546

04-05-2012 17:21:00

Seems low to me.  Won't NaH deprotonate DMSO, which has a pKa of about 30?

User 851ac690a0

04-05-2012 18:51:18

Hi,


 


pKa of DMSO is about 30, It is ok.


The pKa of H2 in DMSO is:  pKa = 34 ± 4.This pKa value is given  in the same reference as above.


DMSO can be deprotnated  with NaH according to these pKa values


 


Jozsi

ChemAxon e08c317633

30-05-2013 15:19:15

We reconsidered this request, and it won't be implemented. Sorry for the inconvenience.