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Proceedings Paper

The VCD Spectrum Of 2-Methyl Oxetan
Author(s): R. A. Shaw; N. Ibrahim; L.. A . Nafie; A. Rauk; H. Wieser
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Paper 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.

Paper Details

Date Published: 20 December 1985
PDF: 2 pages
Proc. SPIE 0553, Fourier and Computerized Infrared Spectroscopy, (20 December 1985); doi: 10.1117/12.970899
Show Author Affiliations
R. A. Shaw, University of Calgary (Canada)
N. Ibrahim, University of Calgary (Canada)
L.. A . Nafie, Syracuse University (United States)
A. Rauk, University of Calgary (Canada)
H. Wieser, University of Calgary (Canada)

Published in SPIE Proceedings Vol. 0553:
Fourier and Computerized Infrared Spectroscopy
David G. Cameron; Jeannette G. Grasselli, Editor(s)

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