Conformation and vibrational spectra of 1-bromo-1,5-hexadiyne (bromobipropargyl) |
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| Authors: | David L Powell P Klaeboe BN 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 Würzburg, D-8700, WürzburgGermany |
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| Abstract: | The IR spectra of 1-bromo-1,5-hexadiyne (bromobipropargyl) as a vapour, liquid and crystalline solid and in several solvents have been recorded. Raman spectra were obtained for the liquid (including polarization measurements) and the crystal.The data were interpreted in terms of two conformers, trans and gauche, in the vapour and liquid states and one, trans, in the crystal. The conclusion that the trans conformer was the one present in the crystal was based on several independent pieces of evidence. Vibrational assignments were made, supported by normal coordinate calculations. |
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