Vibrational spectra and structure of small ring compounds–XXII

作者: J.R. Durig , J.M. Karriker , W.C. Harris

DOI: 10.1016/0584-8539(71)80248-9

关键词: CondensationPseudorotationCrystalliteSpectral lineMoleculeComputational chemistryRing (chemistry)CyclopentanolRaman spectroscopyChemistryCrystallography

摘要: Abstract The i.r. spectra of cyclo pentanol, α- pentanol- d 1 and β,β,β',β' - 4 in the liquid gaseous states have been recorded from 300–4000 cm −1 . far-i.r. pentanol-O- , measured down to 33 polycrystalline pentanol cyclopentanol-O- 33–300 Raman each species depolarization values for normal molecule. 42 fundamental vibrations assigned on basis group frequency correlations, isotopio shift ratios, relative band intensities. O-H torsional radial modes were centered at 260 188 respectively, spectrum isolated molecule but shifted 737 258 solid. Although no pseudorotational transitions observed a 122 solid was this low ring-puckering fundamental. If upon condensation similar that mode is postulated fundamental, ← 0 transition must be lower than 50 Such frequency, course consistent with relatively small barrier pseudorotation.

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