Chemistry Reference
In-Depth Information
FIGURE 9.10.
Energy of the four quartet sublevels of the external field H parallel to the
z-
,
x-
,
and
y
-axes, respectively, calculated for a quartet system using the ZFS parameters
jD
/hc
j¼
0.285 cm
1
,
jE
/hc
j¼
0.043 cm
-1
(
g
iso
¼
2.003) of quartet
p-6b
as a representative example for
the assignment of the transitions of the nitreno radicals in this study.
Source
: Reprinted from
Ref. 13 with permission from the American Chemical Society.
within a point dipole model. The limited SOC contributions to the
D
-value are
dominated by the spin-lowering, spin-flip contributions arising from the low-lying
spin-doublet states. This is consistent with previous results for other systems
45-51
for
which the SOC term represents the largest contribution to
D
. The SS contributions
