Conformation and vibrational spectra of 1,5-hexadiyne (bipropargyl) |
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| Authors: | David L Powell P Klaeboe A Phongsatha BN Cyvin SJ Cyvin H Hopf |
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| Institution: | Department of Chemistry, University of Oslo, Oslo 3 Norway;Division of Physical Chemistry, University of Trondheim, N-7034 NTH, TrondheimNorway;Institute of Organic Chemistry. University of Wurzburg, D-8700, WurzburgWest Germany |
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| Abstract: | The infrared spectra of 1,5-hexadiyne (bipropargyl) as a vapour, liquid and crystalline solid and in several solvents have been recorded. Raman spectra were obtained for the liquid (including polarization measurements), the crystal and for several solutions.The data were interpreted in terms of two conformers, trans and gauche, in the vapour and liquid states and one, the trans, in the crystalline form. Interpretation of the spectra in terms of the conformational equilibria was not straightforward, and firm conclusions could not be drawn from the spectra alone. Vibrational assignments were made, supported by normal coordinate calculations. |
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