The VCD Spectrum Of 2-Methyl Oxetan

R. A. Shaw; N. Ibrahim; L.. A . Nafie; A. Rauk; H. Wieser

doi:10.1117/12.970899

20 December 1985 The VCD Spectrum Of 2-Methyl Oxetan

R. A. Shaw, N. Ibrahim, L.. A . Nafie, A. Rauk, H. Wieser

Proceedings Volume 0553, Fourier and Computerized Infrared Spectroscopy; (1985) https://doi.org/10.1117/12.970899
Event: 1985 International Conference on Fourier and Computerized Infrared Spectroscopy, 1985, Ottawa, Canada

Abstract

The VCD and absorbance spectra of 2-methyl oxetan are reported for the region of 800-1500 cm-1. A force field consistent with experimental vibrational spectra is derived by an ab initio calculation at the STO-3G level, and is used to compute the VCD signs and intensities using the fixed partial charge (FPC) method. The VCD signs are predicted correctly for all observable bands save one.

Citation Download Citation

R. A. Shaw, N. Ibrahim, L.. A . Nafie, A. Rauk, and H. Wieser "The VCD Spectrum Of 2-Methyl Oxetan", Proc. SPIE 0553, Fourier and Computerized Infrared Spectroscopy, (20 December 1985); https://doi.org/10.1117/12.970899

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