513.001 Molecular and Solid State Physics | |
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Absorption in 1,3-butadiene1,3-butadiene is a planar molecule. What types of bonds occur in this molecule? The Hückel model can be used to express four molecular orbitals in terms of the four pz orbitals. Let α = <pz1|HMO|pz1> be the matrix element with both <pz1| and |pz1> corresponding to the pz orbital of the same atom. Let β = <pz1|HMO|pz2> be the matrix element with <pz1| and |pz2> corresponding to the pz orbitals of neighboring atoms. Here β = 0.77 eV. This molecule absorbs a photon and one of the electrons moves from the higest occupied orbital to the lowest unoccupied orbital. What is the wavelength of the photon? |