Low-frequency Raman spectroscopy of n-alcohols. LAM vibration and crystal structure

Maria Soutzidou, Vassiliki Alexandra Glezakou, Kyriakos Viras, Madeleine Helliwell, Andrew J. Masters, Mark A. Vincent

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    Low-frequency Raman spectra of even and odd n-alcohols have been recorded. The longitudinal acoustic modes (LAM) are described, and the effects of hydrogen-bonding, chain length, and temperature on the frequencies of these vibrations are discussed. The frequencies of the LAMs are interpreted in terms of the one-dimensional crystal model of Minoni and Zerbi and also ab initio calculations on isolated single chains. The low-frequency LAM-1 mode of the hydrogen-bonded dimer exhibited an odd-even effect, and to gain insight into this, the crystal structures of the C17 and C20 alcohols were determined by single-crystal X-ray diffractometry. C17H35OH packs in the β form, with half the oxygen atoms trans and half gauche, with respect to the alkyl chains. C20H41OH adopts an all trans conformation and the packing is in the γ form. The hydrogen-bonding interactions differ in the two structures. We therefore ascribe the odd-even effect in the LAM-1 frequencies to an odd-even effect in crystal structure.
    Original languageEnglish
    Pages (from-to)4405-4411
    Number of pages6
    JournalJournal of Physical Chemistry B
    Issue number17
    Publication statusPublished - 2 May 2002


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