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Infrared Spectrum of13CH3I in the 2770–3200 cm−1Region: Rotational Analysis of the Fundamentals ν1and ν4Together with 2ν5and ν3+ ν5+ ν6

✍ Scribed by Seppo Alanko

Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
627 KB
Volume
188
Category
Article
ISSN
0022-2852

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✦ Synopsis

The high resolution infrared spectrum of 13 CH 3 I in the region of the fundamental bands n 1 (A 1 ) and n {1

4 (E) near 3000 cm 01 have been studied in detail with an effective resolution better than 0.0040 cm 01 . In addition to these fundamentals, an overtone band 2n 0 5 and a PAPE band n 3 / n |1 5 / n {1 6 have been identified in the region. The excited states of these four bands, together with 2n 2 / n 3 ,

, and 3n 3 / n {1 5 , 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. Special care has been paid to eliminate the effects of the near-lying vibrational levels on the constants of the fundamentals. Especially the influence of the strong Fermi resonance n 1 /2n 0 5 has been studied. The model with 60 free parameters could reproduce the 4610 experimental transitions with only fairly modest standard deviation of 4.3 1 10 03 cm 01 . The physically reasonable values for the parameters were considered more important than just the final standard deviation of the least squares fit.

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