Chemical bond: hydrogen molecule ion, LCAO approach

Chemical bond: hydrogen molecule ion, LCAO approach

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Correlation diagram for heteronuclear molecules

In an analogous way, the MOs for heteronuclear molecules can be constructed from the AOs.

MO correlation diagram for heteronuclear diatomic molecules (the distinction between g and u is omitted as there is no inversion center)

Fig 2
MO correlation diagram for LiH and HF

Fig 3
MO correlation diagram for BeH2 as an example of a triatomic molecule

In an analogous way, one can qualitatively construct the molecular orbitals from the energies and symmetries of the atomic orbitals.

Video: LCAO-MO approximation for hydrogen molecule ion by Suresh Choudhary (July 2022).


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