Spin multiplicity

2

4

2

4

Spin state

L

H

L

H

MgO (O²⁻) site

MgO (Fs) site

E_a (NO)

2.909

2.506

2.971

2.097

Ea (Rh₂NO)

1.786

2.542

3.607

3.885

q(Rh₂)

−0.164

0.01

−0.912

−0.639

q(N)

0.22

0.093

0.219

0.070

q(O)

−0.185

−0.222

−0.188

−0.231

q(NO)

0.035

−0.129

0.031

−0.161

q(Rh₂NO)

−0.129

−0.119

−0.881

−0.799