SN

Structures

ΔE = ES = 0 − ES = 1 (Ha)

GS

LTS

D10

S1TR-S2TL

0.000917

Triplet

Singlet

D11

S1TR-S2ML

0.001302

Triplet

Singlet

D12

S1TR-S2HL

0.005505

Triplet

Singlet

D13

S1MR-S2TL

−0.008295

Singlet

Singlet

D14

S1MR-S2ML

−0.005824

Singlet

Singlet

D15

S1MR-S2HL

0.001329

Triplet

Singlet

D16

S1HR-S2TL

−0.021635

Singlet

Singlet

D17

S1HR-S2ML

−0.008326

Singlet

Singlet

D18

S1HR-S2HR

0.000866

Triplet

Singlet