The Chemical Bond in the Di-Atomics, HX, where X = F,O,N,C,B,Be: Orbital Exchange Calculations

This paper extends orbital exchange method calculations to include the series of di-atomic molecules, HX, where X = F,O,N,C,B and Be. In these molecules the hydrogen (H) can bond as both spin up and spin down with the two sigma electrons on X, thereby increasing the extent of bonding versus the normal single bond. The F,O,N and C of the HX molecules exhibit an [HX,H+X-] sigma resonance with the species in (0.75,0.25) proportion. The impact of this sigma resonance, in conjunction with the H spin up/down character, on the orbital overlaps and the bond energy is quantified. The molecules HB and HBe, while not showing resonance, do exhibit dual bonding resulting from the H spin up/down characteristic. The bond length results are within 0.006 Angstrom units of experiment. Dipole moments, that have been measured for the F,O,N and C molecules, are within 0.03 Debye of experiment. Bond energies are accurate to 0.1 electron volt. Precise bond energies are not obtained because of the difficulty in precisely defining the H orthogonalization parameters.