3. Consider the a bonding of the cis-1,3-butadiene molecule of C2v symmetry in the xz plane with the carbon atoms numbered as indicated CH2 4 A.. determine the energies of the x orbitals of this molecule. Write this in terms of a and B. Using the Hückel method write the secular determinant that must be solved to B. Often a is set to zero and B is set to unity. In this case what would an energy value of -1.62 correspond to relative to other energy values? C. The energy solutions for part A are 1.62B, 0.62B, -0.62B, and -1.62B. Draw an energy diagram for these levels and show the location of the electrons. What is the a bond stabilization for this molecule in B units? D. linear combinations of atomic orbitals. For each indicate which energy level it corresponds to and label it as bonding, antibonding, or non-bonding. The symmetry species for the orbitals are 2A2+ 2B2. Label each orbital with the correct symmetry species. The wave-functions corresponding to the energy levels are shown below as

3. Consider the a bonding of the cis-1,3-butadiene molecule of C2v symmetry in the xz plane with the carbon atoms numbered as indicated CH2 4 A.. determine the energies of the x orbitals of this molecule. Write this in terms of a and B. Using the Hückel method write the secular determinant that must be solved to B. Often a is set to zero and B is set to unity. In this case what would an energy value of -1.62 correspond to relative to other energy values? C. The energy solutions for part A are 1.62B, 0.62B, -0.62B, and -1.62B. Draw an energy diagram for these levels and show the location of the electrons. What is the a bond stabilization for this molecule in B units? D. linear combinations of atomic orbitals. For each indicate which energy level it corresponds to and label it as bonding, antibonding, or non-bonding. The symmetry species for the orbitals are 2A2+ 2B2. Label each orbital with the correct symmetry species. The wave-functions corresponding to the energy levels are shown below as

Physical Chemistry

2nd Edition

ISBN:9781133958437

Author:Ball, David W. (david Warren), BAER, Tomas

Publisher:Ball, David W. (david Warren), BAER, Tomas

Chapter15: Introduction To Electronic Spectroscopy And Structure

Section: Chapter Questions

Problem 15.2E: Linearly polarized light can be assigned a specific irreducible representation of a symmetry point...

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