W2013CHM2311 Part 4a Notes

Constructive interference 25 2 15 1 05 0 05 1 15 2 25

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Unformatted text preview: ry stops here 1 MO ψ*MO = caϕ1sA  ­ cbϕ1sB ϕ1sB Quantum theory requires that both the nega0ve and posi0ve combina0ons of atomic orbitals be made. Thus, two atomic orbitals combine to generate two molecular orbitals. 1 MO ψMO = caϕ1sA + cbϕ1sB Molecular Orbitals & LCAO Quantum theory requires that the integral of ψ2 over all space is unity (“normaliza0on”). The actual combina0ons are therefore: N[caϕA + cbϕB] = ψ(σ) This is the bonding orbital for H2 N[caϕA  ­ cbϕB] = ψ(σ*) This is the an0bonding orbital for H2 where N is the normalizing factor such that the integral of ψ2 over all space equals unity. In the case of H2, N = 1 2 ca and cb are weigh0ng coefficients which reflect the rela0ve importance of the given AO in the overall MO. Thinking of Orbitals as Waves Linear combina0ons of atomic orbitals can be visualized as construc0ve and destruc0ve interference that occurs when atomic orbitals (wave func0ons)...
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This note was uploaded on 03/28/2014 for the course CHM 2311 taught by Professor Richardson during the Winter '09 term at University of Ottawa.

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