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Atkins & de Paula: Elements of Physical Chemistry 5e
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Calculate the energy of repulsion between two oxygen nuclei at a separation of 1.21 Å, which is the equilibrium bond length in an O2 molecule.
Predict the geometry of a molecule in which the bonding may be described using the valence-bond model as being made up of sp3 hybrid orbitals on the central atom.
How many molecular orbitals may be constructed from the valence shell orbitals of the constituent atoms in CH4?
What is the symmetry of the antibonding molecular orbital formed by a linear combination of the px or py atomic orbitals in a homonuclear diatomic molecule?
For a diatomic molecule whose internuclear axis lies along the z axis, what is the value of the overlap integral for the overlap between an pz orbital on one atom and a py orbital on the other?
Use molecular orbital theory to determine the bond order for the O2+ ion.
The Pauling electronegativity of hydrogen is 2.1. Use the definition of Pauling electronegativity to estimate the electronegativity of chlorine given that the dissociation energy of an H-Cl bond is 427 kJ mol-1, for a H-H bond is 432 kJ mol-1 and for a Cl-Cl bond is 239 kJ mol-1.
The valence bonding molecular orbital of a hydrogen chloride, HCl, molecule may be described as the linear combinations of the hydrogen 1s and chlorine 3p atomic orbitals Calculate the probability of finding an electron in a 1s orbital on hydrogen.
Use Hückel theory to determine the energies of the π orbitals of the allyl radical system, C3H4.
Predict, by analogy with benzene, the Hückel energies of the π molecular orbitals for cyclobutadiene, C4H4.
