torsdag 14 december 2023

RealQM Confirms Detection of HeH+ as First Compound after Big Bang

The Guardian 2019 sent the message that the Helium Hybrid cation HeH+ long thought to be the first stable chemical compound to have appeared after the big bang, has now for the first time been detected in space:

  • The positively charged molecule HeH+ known as helium hydride is believed to have played a starring role in the early universe, forming when a helium atom shared its electrons with a hydrogen nucleus, or proton (thus more precisely forming He+H).
  • Not only is it thought to be the first molecular bond, and first chemical compound, to have appeared as the universe cooled after the big bang, but it also opened up the path to the formation of molecules of hydrogen. 
  • The lack of evidence of the very existence of helium hydride in the local universe has called into question our understanding of the chemistry in the early universe. The detection reported here resolves such doubts.
The idea is that He+H forms when one of the two electrons of Helium is passed over to a proton thus forming an H atom in a compound with He+ as the cation He+H, which when combining with an electron added to He+ can form the compound HeH. 

So everything started when He combined with a proton to form He+H and then combine with an electron into HeH, which can be dissociated into He and H thus "opening a path to form molecules of hydrogen".   

From the point of view of standard quantum mechanics/chemistry stdQM this appears contradictory, since He as a noble gas is not supposed to form compounds with anything, and this is also the message sent by Computational Chemistry Comparison and Benchmark DataBase where atomisation energies for HeH and HeH+ are lacking as if these compounds do not exist! 

So stdQM says that the molecules HeH+ and HeH do not exist, which is in contradiction with their basic role after Big Bang now supported by observation.  

RealQM gives the following positive atomisation energy E
  • HeH+     E = 0.065 Hartree     (code
  • HeH       E = 0.153 Hartree     (code)    (this will be revised in later post)
in conformity to the detected existence of these compounds, the first to appear after Big Bang!

Does this give evidence that RealQM has something to offer beyond stdQM?

In the next post we will follow the dynamic dramatic event when one of the two electrons of He  is passed over to a proton to form an H atom. Spectacular!

3 kommentarer:

  1. Snabb sökning på wikipedia hittar referensen att första beräkning av HeH+ med standard QM gjordes av J.Y Beach 1936....
    https://en.wikipedia.org/wiki/Helium_hydride_ion

    SvaraRadera
  2. Yes, Wikipedia speaks about sporadic attempts to compute the dissociation energy E of HeH+ with last ref to Evett 1955, stating E in the range 1-2 eV or 0.03-0.08 Hartree to be compared with the more precise prediction of RealQM of 0.065.

    SvaraRadera
  3. Then all that remains is finding out if your prediction is true...

    SvaraRadera