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. 2020 Jun 30;59(37):16114–16121. doi: 10.1002/anie.202005269

Table 2.

Matrix elements (in units of cm−1) of the one‐electron Breit–Pauli Operator of the SOC between S1 and the lowest two triplet states.[a]

helical‐BDP

BDP

SOC states

C 2V

C 2

CS

C 2V

S1/T1

0

0.0977 x

0.0024 z

0

S1/T2

0

0.1689 x

0.0781 z

0

[a] Each value is labeled with the index (x, y, z) of the triplet sublevel. In both helical‐BDP and BDP, SOC is forbidden by symmetry in the structures with C 2v point group (see Supporting Information for details).