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Ch.11 - Chemical Bonding II: Molecular Shapes, VSEPR & MO Theory
Chapter 11, Problem 76

Draw an MO energy diagram and predict the bond order of Li2+ and Li2-. Do you expect these molecules to exist in the gas phase?

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Key Concepts

Here are the essential concepts you must grasp in order to answer the question correctly.

Molecular Orbital Theory

Molecular Orbital (MO) Theory describes the behavior of electrons in molecules by combining atomic orbitals to form molecular orbitals. These orbitals can be bonding, antibonding, or non-bonding, and their energy levels determine the stability and reactivity of the molecule. Understanding MO theory is essential for predicting bond order and the existence of molecules in the gas phase.
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Bond Order

Bond order is a measure of the number of chemical bonds between a pair of atoms, calculated as the difference between the number of bonding and antibonding electrons divided by two. A higher bond order indicates a stronger bond and greater stability of the molecule. For Li2+ and Li2-, calculating the bond order helps predict their stability and likelihood of existing in the gas phase.
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Stability of Molecules in the Gas Phase

The stability of molecules in the gas phase is influenced by their bond order and the energy of their molecular orbitals. Molecules with a positive bond order are generally stable and can exist in the gas phase, while those with a bond order of zero or negative are less likely to be stable. Evaluating the bond order of Li2+ and Li2- will provide insight into their potential existence as gaseous species.
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Sketch the bonding and antibonding molecular orbitals that result from linear combinations of the 2pz atomic orbitals in a homonuclear diatomic molecule. (The 2pz orbitals are those whose lobes are oriented perpendicular to the bonding axis.) How do these molecular orbitals differ from those obtained from linear combinations of the 2py atomic orbitals? (The 2py orbitals are also oriented perpendicular to the bonding axis, but also perpendicular to the 2pz orbitals.)

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Using the molecular orbital energy ordering for second-row homonuclear diatomic molecules in which the π2p orbitals lie at lower energy than the σ2p, draw MO energy diagrams and predict the bond order in a molecule or ion with each number of total valence electrons. Will the molecule or ion be diamagnetic or paramagnetic? a. 4 b. 6

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