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Specifying substance name using Substance name wizard
7.2.5.5
Rules for substance name specification
Electronic state attribute
Atomic states can not be specified completely by the quantum numbers S, L and J. The
complete specification needs additional information which is provided by filling the field
"electronic state attr".
The field «electronic state attr» includes a complete set of the quantum numbers
characterizing atomic electronic state. These quantum numbers include electronic
configuration and term. The contents of the field has the form electronic configuration
separation symbol term. Sometimes electronic configuration is not shown and in this case
separation symbol is not inserted before the string describing the term.
Separation symbol is a vertical line |.
In atomic spectroscopy general form of the electronic configuration is as follows:
n1l1k1

M1

L1J1 n2l2 k2

M2

L 2J 2 .... ., where Mi=2Si+1 is multiplicity. Here ni is a principle
quantum number of the electron, li is an orbital quantum number of the electron, ki is a
number of electrons on the ni li – electronic shell, Si, Li, Ji are spin, orbital angular
momentum and total angular momentum of the ni li – electronic shell. If some kj=1, it is not
shown. In the case of the closed shell or shell with only one electron corresponding
2Si 1
L1Ji are not shown. In some cases

M2

L 2J2 may refer to several shells. Closed
electronic shells with ki=2(2li+1) often are not shown. The values of Ji often are not shown.
In atomic spectroscopy values of the orbital angular momentum l of one electron (total
orbital angular momentum L of k electrons) are represented by small (capital) Latin letters:
0 – s(S), 1 – p(P), 2 – d(D), 3 – f(F), 4 – g(G). Quantum numbers of configuration are
inserted into the field «electronic state attr» in the form of a string
n1l1 (k1 ) M 1 L1 ( J1 ) n2l2 (k2 ) M 2 L2 ( J 2 ) .... where mentioned above letter representation of li
and Li are used. If ki=1 it is also shown. An example of the excited electronic configuration
3d8(3F)4s3p(1P) of Ni is shown in Figure 3-6.
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