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Vibration Frequencies for Cl2O2
The frequency of vibrations for the Cl2O2 molecule were calculated from the ab initio
DZV basis set. These frequencies correspond to the frequencies at which
an IR peak should be observed. The calculated frequencies of vibration
and experimentally determined frequencies are listed in Table 1 along with descriptions of the vibration.
Table 1: Vibration frequencies for Cl2O2.
Experimental Frequency (cm-1)3
Calculated Frequency (cm-1)
Description of Vibration
Not Listed
Scissoring
418.5 (weak)
Deformation
Not Listed
Rocking
543.0 (medium)
Cl-O Symmetric Stretch
647.7 (v. strong)
Cl-O Asymmetric Stretch
754.0 (medium)
O-O Stretch
Experimental IR frequencies and assignments can be found at this National Institute of Standards and Technology (NIST) Chemistry WebBook Page.
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