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Write down the secular
determinant for naphthalene within the Hückel molecular orbital approximation
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- What is the bond order for the lowest excited state of H2+ ? From this single result, propose a general statement about unstable diatomic molecules and bond orders.Determine which single symmetry operation of the following point groups is equivalent to the given combination of multiple symmetry operations. a In C2v, C2v=? b In C2h, iC2=? c In D6h, C6h=? d In D2d, C2C2=? e In Oh, iS4=?Use molecular orbital arguments to decide whether or not the difluoride dianion, F22, should exist as a stable ion.
- Determine the symmetry species of the D3h point group for the sp2 hybrid orbitals, assuming that the C3 axis is coincident with the z-axis and that one of the orbitals lies along the positive x-axis. See Example 13.16.Determine the D3h symmetry species of the sp3d hybrid orbitals, assuming that the C3 axis is coincident with the z-axis and that one of the orbitals lies along the positive x-axis. See Example 13.16.Determine if the following integrals can be nonzero if the molecular or atomic system has the given local symmetry. Use the great orthogonality theorem if necessary. a AuOB2uAud in D2h symmetry b A1OA1A2d in C3v symmetry c g+Oggd in Dh symmetry d EOA2T1d in Td symmetry
- How would you determine the normalised molecular orbital coefficients of butadiene using the eigenvector of the Huckel matrix for the lowest energy orbital?Suppose that a molecular orbital of a heteronuclear diatomic molecule is built from the orbital basis ψA, ψB, and ψC, where ψB and ψC are both on one atom (they can be envisaged as F2s and F2p in HF, for instance). Set up the secular equations for the optimum values of the coefficients and set up the corresponding secular determinant.Determine all the symmetry elements of the following molecules Methane, Carbon tetra fluoride Boron tri fluoride
- If a homonuclear diatomic molecule is oriented along z-axis, determine the molecularorbital formed by the lincar combination of atomic orbitals of the two atoms. Also drawtheir resulting structure, Determine the orbital having two radial nodes and two angularnodes and also give reason to support your answer.Determine all the symmetry elements of the following molecules Beryllium dichloride Phosphorus pentachlorideWhat are the symmetry elements of the following molecules?