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In contrast, for molecules with one unpaired electron to which a spin of + ½ or - ½ is attributed, we get a duplet state. This leads to a total spin of zero, a spin multiplicity of 1 and a molecule in singlet state. For example, it is clear that a σ MO occupied by two electrons results to the term 1Σ as the angular momentum of both electron is zero and therefore they must differ with respect to their spin.
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Table 1 lists, according to Pauli's principle, the possible molecule terms for given electronic configurations.
Verschaltung rocrail und delta 4f full#
For molecular orbitals with only one electron, this is the projection of λ of the single electron, i.eįor molecules with several electrons, the question is whether these electrons are equivalent and the Pauli principle rules their allocation, or, whether they are not equivalent and no further restrictions apply.įrom full molecular orbitals, there are no contributions to the term scheme presented, therefore, they can be ignored when deriving the term symbol.
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For Λ = 0, we have an state Σ, for Λ = 1, we have state Π and so on. Note that the analogy between quantum number l of atoms and Λ is limited to the nature of this quantity both of them are angular momentums but Λ is just the projection of this momentum on the axis connecting the nuclei. The symbols Σ Π Δ denote an angular momentum. For an MO with only one electron, the total spin S = ½ and therefore the multiplicity is 1. The first index indicates the spin multiplicity 2S+1 where S is the sum of the electrons' spins. that represents the spin multiplicitiy, a Greek capital letter Σ Π Δ (standing for the projection of the total angular momentum of electrons with respect to the bond's axis) and, for homonuclear molecules, g or u as a subscript. The symbols for the total electronic state of a molecule are composed of a superscript 1, 2, 3. Term Symbols and Selection Rules Term Symbols and Selection Rules