Question

1. The ground state of H2 has the molecular-orbital configurationo). In addition to the ground state there are excited states

The ground state of H2 has the molecular-orbital configuration (σgb)2.

In addition to the ground state there are excited states that have the following configuration:

(pic)

Predict which of these states would be highest in energy and which would be lowest.

Explain your reasoning.

Would you expect the lowest excited state of H2 to be paramagnetic or diamagnetic?

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Answer #1

The excited state (c) would be the highest energy.

The excited state (b) would be the lowest in energy.

The lowest excited state (b) is expected to be paramagnetic because there are two unpaired electrons with parallel spins.

Explanation: In the first excited state, one of the electrons from the gerade bonding MO jumps to the ungerade antibonding MO having parallel spins of both the electrons, in the second excited state, both the electrons will have the antiparallel spins, whereas in the third excited state, the second electron does also jump from the gerade bonding MO to the ungerade antibonding MO.

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