W2013CHM2311 Part 4a Notes

Molecular orbital mo molecular orbitals lcao a

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Unformatted text preview: determining the values for ϕ1sA and ϕ1sB at each point in space and adding those values together. Mathema0cally: ψMO = caϕ1sA + cbϕ1sB Visually: ϕ1sA ϕ1sB ϕ1sA ϕ1sB ψMO = caϕ1sA + cbϕ1sB Since both ϕ1sA and ϕ1sB are posi0ve, ψMO is posi0ve at all points in space. Molecular Orbitals & LCAO This is called the linear combina0on of atomic orbitals (LCAO) because the technical term for the mathema0cal procedure we just carried out is a linear combina0on . LCAO: ψMO = caϕ1sA + cbϕ1sB The new orbital that was created by LCAO is called a molecular orbital because it is a mathema0cal func0on that extends over more than one atom. Molecular Orbital (ψMO): Molecular Orbitals & LCAO A molecular orbital can also be found by determining the values for ϕ1sA and ϕ1sB at each point in space and subtrac0ng one from the other (this is also a linear...
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