Transition frequencies in the lower energy spin-ladder
2Π1/2 were reported by
(1) M. C. McCarthy, A. J. Apponi, C. A. Gottlieb, and P. Thaddeus,
2001, J. Chem. Phys. 115, 870.
The value of ASO was assumed to be
the same as the one calculated for SiC3N.
Prediction in the lower energy spin-ladder may be reliable
up to 120 GHz or even higher. Predictions in the
higher energy spin-ladder 2Π3/2
should be viewed with very great caution.
The dipole moment is from an ab initio calculation
by
(2) H.-Y. Zhao, L. Wang, J. Li, Y. Liu, Y.-C. Li,
and S.-L. Qin,
2012, Comput. Theor. Chem. 994, 19.
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