(b) The orbitals
Our task now is to see how molecular orbital theory can account for the features revealed by photoelectron spectroscopy and the other techniques, principally absorption spectroscopy, that are used to study diatomic molecules. As with H2, the starting point in the theoretical discussion is the minimal basis set, the smallest set of atomic orbitals from which useful molecular orbitals can be built. In Period 2 diatomic molecules, the minimal bas consists of the one valence s orbital and three valence p orbitals on each atom, giving eight atom orbitals in all. As remarked previously, N atomic orbitals can be used to construct N molecular orbitals. We shall now show how the minimal basis set of eight valence-shell atomic orbitals (four from each atom) is used to construct eight molecular orbitals. Then we shall use the Pauli principle to predict the ground-state electron configurations of the molecules.
(b) The orbitals Our task now is to see how molecular orbital theory can account for the features revealed by photoelectron spectroscopy and the other techniques, principally absorption spectroscopy, that are used to study diatomic molecules. As with H2, the starting point in the theoretical discussion is the minimal basis set, the smallest set of atomic orbitals from which useful molecular orbitals can be built. In Period 2 diatomic molecules, the minimal bas consists of the one valence s orbital and three valence p orbitals on each atom, giving eight atom orbitals in all. As remarked previously, N atomic orbitals can be used to construct N molecular orbitals. We shall now show how the minimal basis set of eight valence-shell atomic orbitals (four from each atom) is used to construct eight molecular orbitals. Then we shall use the Pauli principle to predict the ground-state electron configurations of the molecules.
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