Thus, in the case of neutral aqua ligands, the part due to LFSE on
the metal ion prevails and the trends in orbital components are
similar to the upper placement of eg levels and lower t2g ones in
the LF diagrams. The |4n + 6m| coefficients of the LFSE for a
tn
2gemg
configuration, taken as abscissa in Fig. 1 grow in the sense
of progressive depopulation of the eg set, and occupation gain in
the t2g subshell. The transfer of the eg electrons populated in the
spherical fragment ion toward the t2g leads to the repulsion exerted
by the d-lobes aligned to x, y and z axis, towards the negative
ligands.
Thus, in the case of neutral aqua ligands, the part due to LFSE on
the metal ion prevails and the trends in orbital components are
similar to the upper placement of eg levels and lower t2g ones in
the LF diagrams. The |4n + 6m| coefficients of the LFSE for a
tn
2gemg
configuration, taken as abscissa in Fig. 1 grow in the sense
of progressive depopulation of the eg set, and occupation gain in
the t2g subshell. The transfer of the eg electrons populated in the
spherical fragment ion toward the t2g leads to the repulsion exerted
by the d-lobes aligned to x, y and z axis, towards the negative
ligands.
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