Chemistry

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.

Fig.1
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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