The highest occupied molecular orbital of a molecule is abbreviated as the HOMO. The lowest unoccupied molecular orbital in a molecule is called the LUMO. Experimentally, one can measure the difference in energy between the HOMO and LUMO by taking the electronic absorption (UV-visible) spectrum of the molecule. Peaks in the electronic absorption spectrum can be labeled as p2p9p2p*, s2s9s2s*, and so on, corresponding to electrons being promoted from one orbital to another. The HOMO-LUMO transition corresponds to molecules going from their ground state to their first excited state. (c) The electronic absorption spectrum of the N2 molecule has the lowest energy peak at 170 nm. To what orbital transition does this correspond?
Place the following molecules and ions in order from smallest to largest bond order: H2+,B2,N2+,F2+, and Ne2.
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Key Concepts
Bond Order
Molecular Orbital Theory
Electron Configuration of Diatomic Molecules
One of the molecular orbitals of the H2− ion can be sketched as follows:
a. Is the molecular orbital a 𝜎 or 𝜋 MO? Is it bonding or antibonding?
One of the molecular orbitals of the H2− ion can be sketched as follows:
d. Compared to the H—H bond in H2, the H—H bond in H2− is expected to be which of the following?
i. shorter and stronger
ii. longer and stronger
iii. shorter and weaker
iv. longer and weaker or
v. the same length and strength
Azo dyes are organic dyes that are used for many applications, such as the coloring of fabrics. Many azo dyes are derivatives of the organic substance azobenzene, C12H10N2. A closely related substance is hydrazobenzene, C12H12N2. The Lewis structures of these two substances are
(Recall the shorthand notation used for benzene.) (c) Predict the N¬N¬C angles in each of the substances.
Carbon monoxide, CO, is isoelectronic to N2. (d) Would you expect the p2p MOs of CO to have equal atomic orbital contributions from the C and O atoms? If not, which atom would have the greater contribution?
The energy-level diagram in Figure 9.40 shows that the sideways overlap of a pair of p orbitals produces two molecular orbitals, one bonding and one antibonding. In ethylene there is a pair of electrons in the bonding orbital between the two carbons. Absorption of a photon of the appropriate wavelength can result in promotion of one of the bonding electrons from the to the molecular orbital. a. Assuming this electronic transition corresponds to the HOMO–LUMO transition, what is the HOMO in ethylene?