The conformations and vibrational spectra of 2,2,4,4,6,6,9,9-octamethyl-3,7-decadiyne |
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| Affiliation: | Department of Chemistry, University of Oslo, 0315 Oslo 3 Norway;Institute of Organic Chemistry, The Technical University of Braunschweig, D-3300 Braunschweig F.R.G.;Department of Biological and Environmental Sciences, College of Arts and Sciences, Qatar University, Doha. P.O. Box: 2713, Qatar;Department of Chemical and Biomolecular Engineering, National University of Singapore, Singapore 117565, Singapore |
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| Abstract: | The IR spectra of the title compound as a solute in various solvents, as a melt and as a crystalline solid have been recorded. Raman spectra of the solutions, the melt and of the crystalline solid were obtained and semiquantitative polarization measurements carried out.The data have been interpreted in terms of one conformer (anti) present in the crystal. In the melt and in solutions an additional conformer (gauche) was present in low abundance, probably between 5 and 10%, and ΔHo (gauche → anti) was estimated to be −7.9 ± 2 kJ mol−1. Spectral correlations with the related molecule, 1,5-hexadiyne are pointed out. |
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