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A Detailed Analysis of the ν2/ν5/ν3+ ν6Band System of13CH3I and12CH3I

✍ Scribed by Seppo Alanko

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
586 KB
Volume
177
Category
Article
ISSN
0022-2852

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✦ Synopsis

The infrared spectra of 13 CH 3 I and 12 CH 3 I in the region of the bands n 2 , n 5 , and n 3 / n 6 , 1200-1600 cm 01 , have been studied at an effective resolution better than 0.0025 cm 01 . The excited states of these bands form a complicated level system with a number of resonances coupling the levels. Accordingly, the bands have been analyzed by diagonalizing the complete energy matrices with all the interactions simultaneously taken into account. The computational procedure is discussed in detail. In the case of 13 CH 3 I, 6302 observations including 145 perturbation-allowed transitions have been least-squares fitted by using a model with 44 free parameters. The standard deviation of the fit was 0.00014 cm 01 . For 12 CH 3 I, 7161 transitions including 351 forbidden lines have been fitted using practically the same model as above. The standard deviation in this case was 0.00015 cm 01 .

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