In database: |
550-6500 cm-1 |
Chlorosulfonyl isocyanate (CSI) (ClSO2NCO)
141.529 g/mole
Freezing point -44 C
Boiling point 107 C
Infrared cross-sections from PNNL
FTIR infrared cross-sections from 550 to 6500 cm-1
Data available at 5 C, 25 C, and 50 C
Spectra is composite of on the order of 10 different pressures,backfilled
with nitrogen to 760 T.
Images of PNNL data in wavenumbers
Images of PNNL data in microns
Additional References
Vibrational spectra, conformational stability and ab initio calculations of chlorosulfonyl isocyanate;
J. Durig, L. Zhou, T.K. Gounev and G. Guirgis; Spec.Acta A 53:1581-1593 (1997).
Figure 1 shown to the right.
Figures 2,3,4 showing regions from 100 to 2500 cm-1
Notes
Fundamental frequencies from Durig et al.
v1 NCO anti-symmetric stretch 2257 cm-1
v2 SO2 anti-symmetric stretch 1440 cm-1
v3 NCO symmetric stretch 1361 cm-1
v4 SO2 symmetric stretch 1202 cm-1
v5 SN stretch 749 cm-1
v6 NCO bend/SO2 wag 638 cm-1
v7 NCO bend (out of plane) 610 cm-1
v8 SO2 deformation/NCO bend 595 cm-1
v9 SO2 wag/SO2 deformation 479 cm-1
v10 SO2 rock 433 cm-1
v11 SCl stretch 401 cm-1
v12 SO2 twist 297 cm-1
v13 ClSN bend 278 cm-1
v14 CNS bend 114 cm-1
v15 NCO torsion 46 cm-1
List of available data for all molecules in database
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