THE VAPOUR PHASE INFRARED SPECTRA IN THE REGION OF $700-100 cm^{-1}$ OF BICYCLO[3.2.1]OCTANE AND ITS $8-DXA, 6-DXA, 6-OXA-7,7-D_{2}$, AND 6,8-DIOXA ANALOGS: EVIDENCE FOR ANHARMONIC SKELETAL DEFORMATIONS

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Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/17127

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Title:	THE VAPOUR PHASE INFRARED SPECTRA IN THE REGION OF $700-100 cm^{-1}$ OF BICYCLO[3.2.1]OCTANE AND ITS $8-DXA, 6-DXA, 6-OXA-7,7-D_{2}$, AND 6,8-DIOXA ANALOGS: EVIDENCE FOR ANHARMONIC SKELETAL DEFORMATIONS
Creators:	Castro, C.; Ibrahim, N.; Rauk, A.; Shaw, R. A.; Smithson, T. L.; Wieser, H.
Issue Date:	1986
Publisher:	Ohio State University
Abstract:	The vapour phase infrared spectra of the title compounds in the region indicated are analyzed explicitly for the purpose of identifying and characterizing the skeletal ieformations taking place in the bicyclo[3.2.1]octane ring system. Optimized geometries and harmonic force fields are calculated by ab initio methods at the STD-3G level. The force constants are scaled to fit the observed spectra. The skeletal deformations are displayed in terms of the displacement coordinates. One-dimensional anharmonic potential functions are calculated to reproduce observed sequences of O branches.
Description:	Address of Smithson: DREV, 2459 Blvd. Pie XI NORD, C. P. 8800, Courcelette, Quebec, GOA IRO Canada. Address of others: Department of Chemistry, University of Calgary, Calgary, Alberta, T2N IN4 Canada. Author Institution:
URI:	http://hdl.handle.net/1811/17127
Other Identifiers:	1986-WE'-5