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Fermi resonance in the carbonyl band of cyclopentanone

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Abstract

The relative carbonyl stretching frequency shifts in the infrared spectra of cyclopentanone (CP) and O18-CP have been measured in various solvents. The plot of these shifts versus those of acetophenone shows that the doublet in the carbonyl stretching region of CP is caused by Fermi resonance and the splitting does not take place in O18-CP. In the vapor phase no doublet was observed in CP or O18-CP.

Using these results, the vibrational energy diagrams of CP and O18-CP are proposed and the energy difference between the unperturbed resonating levels (δ 0) and interaction terms (H ij) were obtained. These values agree well with those obtained from the intensity data.

Zusammenfassung

Die relativen Frequenzverschiebungen der Carbonylstreckschwingung im Infrarotspektrum des Cyclopentanons (CP) und O18-CP werden in verschiedenen Lösungsmitteln gemessen. Beim Auftragen dieser Werte gegen die des Acetophenons zeigt sich, daß das Dublett im Bereich der Carbonylstreckschwingung des CP durch Fermiresonanz hervorgerufen wird und bei O18-CP keine Aufspaltung stattfindet. In der Dampfphase wurde weder bei CP noch bei O18-CP ein Dublett beobachtet.

Aufgrund dieser Ergebnisse wird ein Schwingungsenergiediagramm von CP und O18-CP vorgeschlagen und die Energiedifferenz zwischen den ungestörten Resonanzzuständen (δ 0) und den Wechselwirkungstermen (H ij) erhalten. Diese Werte stimmen mit den aus Intensitätsmessungen erhaltenen gut überein.

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References

  1. Angell,C.L., Krueger,P.J., Lauzon,R., Leitch,L.C., Noack,K., Smith,R.J.D., Jones,R.N.: Spectrochim. Acta 15, 926 (1959).

    Google Scholar 

  2. Allen,G., Ellington, P.S., Meakins, G.D.: J. chem. Soc. (London) 1960, 1909.

  3. Kim,H., Gwinn,W.D.: J. chem. Physics 51, 1815 (1969).

    Google Scholar 

  4. Lynch,R.L., Christian,S.D., Affsprung,H.E.: J. physic. Chem. 73, 3263 (1969).

    Google Scholar 

  5. Pinchas,S., Samuel,D., Weiss-Broday,M.: J. chem. Soc. (London) 1961, 2382.

  6. Rao,C.N.R., Venkataraghavan,R.: Spectrochim. Acta 18, 273 (1962).

    Google Scholar 

  7. Becker,E.D., Ziffer,H., Charney,E.: Spectrochim. Acta 19, 1871 (1963).

    Google Scholar 

  8. Kim, K.S.: Ph. D. Thesis, Purdue University, 1971.

  9. Bellamy,L.J., Williams,R.L.: Trans. Faraday Soc. 55, 16 (1959).

    Google Scholar 

  10. Davydov,A.S.: Quantum mechanics transl. by I.V. Schensted, Chpt. 8. Ann Arbor, Michigan: Neo Press 1966.

    Google Scholar 

  11. Herzberg,G.: Infrared and Raman spectra, p. 215. New York: D. Van Nostrand 1945.

    Google Scholar 

  12. Overend,J.: Infrared spectroscopy and molecular structure, ed. by M. Davis. Chpt. X. New York: Elsevier 1963.

    Google Scholar 

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Authors and Affiliations

  1. Department of Chemistry, Purdue University, 47907, West Lafayette, Indiana

    R. E. Davis & Kwang Sup Kim

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  1. R. E. Davis
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  2. Kwang Sup Kim
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Taken in part from the Ph. D. Thesis of K. S. Kim, Jan. 1971. Paper X. Vibrational Effects in Carbonium Ion Reactions. Paper IX. Davis, R. E., Pfaffenberger, C. R. C.: Theoret. chim. Acta (Berl.) 20, 364(1971).

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Davis, R.E., Kim, K.S. Fermi resonance in the carbonyl band of cyclopentanone. Theoret. Chim. Acta 25, 89–96 (1972). https://doi.org/10.1007/BF00528262

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  • DOI: https://doi.org/10.1007/BF00528262

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