SN

Structures

ΔE=ES=1/2 − ES=3/2 (Ha)

GS

LTS

T12

S1TR-S2TR-S3TL

−0.001497

Doublet

Doublet

T13

S1TR-S2TR-S3HL

−0.040528

Doublet

Doublet

T14

S1TR-S2MR-S3ML

−0.007699

Doublet

Doublet

T15

S1TR-S2HR-S3HL

−0.041927

Doublet

Doublet

T16

S1MR-S2TR-S3ML

−0.014156

Doublet

Doublet

T17

S1MR-S2MR-S3ML

−0.015901

Doublet

Doublet

T18

S1MR-S2HR-S3TL

−0.021769

Doublet

Doublet

T19

S1MR-S2HR-S3HL

−0.017032

Doublet

Doublet

T20

S1HR-S2TR-S3HL

0.005336

Quartet

Doublet

T21

S1HR-S2MR-S3HL

0.003999

Quartet

Doublet

T22

S1HR-S2HR-S3HL

0.003656

Quartet

Doublet