Applying a Nonspin-Flip Reaction Scheme to Explain for the Doublet Sulfide Oxides SMO₂ Observed for the Reactions of SO₂ with V(⁴F), Nb(⁶D), and Ta(⁴F)

Table 2

Outermost valence configurations for the quadruplet and doublet electronic states of the radical fragments SO + MO.

Coefficient	Occupation
VO + SO
^4Α	↓↑	↑	↑	↓	↑	↑
^2Α	↓↑	↓	↓	↓	↑	↑
	(px)O	(pz)S	(px)S	(s+px)V	(dz^2)V	(dyz)V
NbO + SO
^4Α	↑	↑	↑	↑	↓	—
^2Α	↓	↓	↑	↑	↓	—
	(px)S	(pz)S	(s)Nb	(dz^2)Nb	(dyz)Nb	—
TaO + SO
^4Α	↑↓	↑	↑	↑	—	—
^2Α	↑↓	↓	↓	↑	—	—
	(s)Ta	(pz)S	(py)S	(dz^2)Ta	—	—