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An investigation of the vibrational spectra of the 1, 5-anhydropentitols

1975; Pergamon Press; Volume: 31; Issue: 7 Linguagem: Inglês

10.1016/0584-8539(75)80155-3

1873-3824

L. James Pitzner, Rajai H. Atalia,

Botanical Research and Chemistry

The vibrational spectra of the 1,5-anhydropentitols have been investigated. The i.r. and Raman spectra of the powdered solids and the Raman spectra of solutions in water and perdeutero dimethylsulfoxide have been recorded. Interpretation of the spectra is based on normal coordinate analyses in which a 54-parameter force field is refined to give the best fit to the spectra of all three compounds. The refinement incorporates, for the first time in studies of molecules of this size, a nonlinear adjustment procedure based on the method of Fletcher and Powell. The final refined force field made possible computation of the characteristic frequencies of the alternate chair conformer for each of the compounds. These were in fairly good agreement with new bands which appeared in the solution spectra.