Explain how symmetry arguments are used to construct molecular orbitals.

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Chemistry

Explain how symmetry arguments are used to construct molecularorbitals.

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One of the main reasons for the intrusion of symmetry argumentsinto the culture of modern chemistry is undoubtedly the concept ofthe Conservation of Orbital Symmetry as introduced by Woodwardand Hoffmann some 30 years ago In the language of quantumchemistry orbitals are oneelectron wave functions the molecularorbitals of interest here are linear combinations of atomicorbitals in the socalled LCAO approximation Simple argumentsbased on the symmetry behavior of the molecular orbitalsinvolvedie the WoodwardHoffmann rules permit certain classesof chemical reactions to be classified as being symmetryallowed orsymmetryforbiddenAs an example we look at the molecular p orbitalsMOs of butadiene H2CCHCHCH2 built fromthe atomic p orbitals AOs of the four carbon atoms fourAOs four linear combinations shown in Fig Fig66 The AO isantisymmetric ie it changes its sign at the atomic nucleus andthe MOs are correspondingly antisymmetric with respect to theplane in which the four carbon atoms are assumed to lie Thesymmetry behavior of the MOs is indicated by the different shadingIt is seen that the MO 1 the one of lowest See Answer

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