20 December 1985 The VCD Spectrum Of 2-Methyl Oxetan
Author Affiliations +
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
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.
© (1985) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
R. A. Shaw, R. A. Shaw, N. Ibrahim, N. Ibrahim, L.. A . Nafie, L.. A . Nafie, A. Rauk, A. Rauk, H. Wieser, H. Wieser, "The VCD Spectrum Of 2-Methyl Oxetan", Proc. SPIE 0553, Fourier and Computerized Infrared Spectroscopy, (20 December 1985); doi: 10.1117/12.970899; https://doi.org/10.1117/12.970899

Back to Top