The Vibrational Spectra Of Selected Bicyclic Compounds

C. Castro; E. A. Dixon; N. Ibrahim; A. Rauk; R. A. Shaw; T. L. Smithson; H. Wieser

doi:10.1117/12.970820

20 December 1985 The Vibrational Spectra Of Selected Bicyclic Compounds

C. Castro, E. A. Dixon, N. Ibrahim, A. Rauk, R. A. Shaw, T. L. Smithson, H. Wieser

Proceedings Volume 0553, Fourier and Computerized Infrared Spectroscopy; (1985) https://doi.org/10.1117/12.970820
Event: 1985 International Conference on Fourier and Computerized Infrared Spectroscopy, 1985, Ottawa, Canada

Abstract

A valence force field and the vibrational wavenumbers are determined for bicyclo[2.2.1]- heptane (I), bicyclo[2.2.1]hepta-2,5-diene (II), and 7-oxabicyclo[2.2.1]heptane (III) by ab initio calculations at the STO-3G level. The calculated wavenumbers are compared to ob-served infrared absorptions and Raman emissions. New and in some cases revised assignments are derived.

Citation Download Citation

C. Castro, E. A. Dixon, N. Ibrahim, A. Rauk, R. A. Shaw, T. L. Smithson, and H. Wieser "The Vibrational Spectra Of Selected Bicyclic Compounds", Proc. SPIE 0553, Fourier and Computerized Infrared Spectroscopy, (20 December 1985); https://doi.org/10.1117/12.970820

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