Table 2 Assignment of peaks in static X-ray absorption

From: Measurement of coherent vibrational dynamics with X-ray Transient Absorption Spectroscopy simultaneously at the Carbon K- and Chlorine L2,3- edges

Peak Assignments

Peak

Exp. Energy (eV)

Calc. Energy (eV)

Assignment

1

200.35

200.44

Cl 2p\({}_{3/2}\to 7{a}_{1}^{* }\)

1s−o

201.95

202.05

Cl 2p\({}_{1/2}\to 7{a}_{1}^{* }\)

2

203.15

203.09

Cl 2p\({}_{3/2}\to 8{t}_{2}^{* }\)

2s−o

204.75

204.70

Cl 2p\({}_{1/2}\to 8{t}_{2}^{* }\)

3

203.98

-

Cl Rydberg

3s−o

205.58

-

Cl Rydberg

4

208.1

-

Shake-up State

4s−o

209.7

-

Shake-up State

C1

290.91

291.30

C 1s\(\to 8{t}_{2}^{* }\)

  1. The assignments of the fitted absorption components from ROKS calculations (peaks 1, 2 and C1) and previous literature78,79 (for other peaks that are not considered further in this work). The Cl L2-edge (s-o peaks) are 1.6 eV higher in energy than the corresponding the L3-edge peaks due to spin-orbit effects.
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