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Ch.9 - Molecular Geometry and Bonding Theories
Chapter 9, Problem 80d

If we assume that the energy-level diagrams for homonuclear diatomic molecules shown in Figure 9.43 can be applied to heteronuclear diatomic molecules and ions, predict the bond order and magnetic behavior of d. NeF+

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Identify the total number of valence electrons in NeF^+. Neon (Ne) has 8 valence electrons, and fluorine (F) has 7 valence electrons. Since there is a positive charge, subtract one electron from the total.
Calculate the total number of valence electrons: 8 (Ne) + 7 (F) - 1 (positive charge) = 14 electrons.
Use the molecular orbital (MO) theory to distribute these 14 electrons in the molecular orbitals. For heteronuclear diatomic molecules like NeF^+, assume a similar MO diagram to homonuclear diatomic molecules, but consider the difference in electronegativity.
Fill the molecular orbitals in order of increasing energy: \(\sigma_{1s}, \sigma^*_{1s}, \sigma_{2s}, \sigma^*_{2s}, \sigma_{2p_z}, \pi_{2p_x} = \pi_{2p_y}, \pi^*_{2p_x} = \pi^*_{2p_y}, \sigma^*_{2p_z}\).
Determine the bond order using the formula: Bond Order = (Number of electrons in bonding MOs - Number of electrons in antibonding MOs) / 2. Assess the magnetic behavior by checking for unpaired electrons in the MO diagram.

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Key Concepts

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

Bond Order

Bond order is a measure of the number of chemical bonds between a pair of atoms. It is 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 diatomic molecules, bond order can help predict the strength and length of the bond formed.
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Magnetic Behavior

Magnetic behavior in molecules is determined by the presence of unpaired electrons. If a molecule has unpaired electrons, it exhibits paramagnetism, meaning it is attracted to magnetic fields. Conversely, if all electrons are paired, the molecule is diamagnetic and is not attracted to magnetic fields. Understanding the electron configuration is crucial for predicting the magnetic properties of a molecule.
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Heteronuclear Diatomic Molecules

Heteronuclear diatomic molecules consist of two different atoms, which can lead to differences in electronegativity and bond character compared to homonuclear molecules. The energy-level diagrams for these molecules reflect the varying contributions of atomic orbitals from each atom, influencing bond order and stability. Analyzing these diagrams helps in predicting the properties of heteronuclear species like NeF+.
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