(a) Using Hückel's method, describe the energy of the molecular orbitals T of cyclobutadiene C4H4, which is a flat molecule made up of a square ring of carbons, as shown in the figure; (b) Do the same for 1,3-butadiene C4H6, which is an elongated planar molecule, as shown in the figure. (c) In both cases, draw an energy diagram indicating the filling of the orbitals and identifying the HOMO and the LUMO. Sketch by hand schematically (using two colors to distinguish the lobes from the 2pz orbitals) the result obtained for the orbitals, identifying them with the corresponding energy. If possible, you can use the Orbital Viewer program to plot the orbitals.

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Q: Describe the bonding in 1,3-butadiene using hybrid orbitals.

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A: VSEPR theory predict the geometry , shape and hybridisation of molecules by the number of electron…

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Q: Which of the following depicts highest occupied molecular orbital (HOMO) of 1,3-butadiene?

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Q: including overlap

A: Molecular Orbital theory of Homoatomic molecules

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Q: In the highest energy TT MO of 1,3-butadiene nodes are found.

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Q: 7. Draw a picture showing the orbitals involved in the bonds only of the following. Hint: first draw…

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Q: Set up the secular determinants for the homologous series consisting of ethene, butadiene,…

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Quantum Mechanical Treatment of the Valence Bond Theory

Quantum mechanical treatment of valence bond theory refers to the relationship established between the quantum mechanical theory and the valence bond theory to describe the chemical bonding in a particular molecule.