The present work was supported by the DFG (Su 121/2 and RTG 782). M. Albrecht contributed to the early design stage of the heated nozzle. R. Balabin was originally assigned to be part of this project during an undergraduate research project in 2007.
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The Last Globally Stable Extended Alkane†
Article first published online: 21 AUG 2012
DOI: 10.1002/anie.201202894
Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Additional Information
How to Cite
Lüttschwager, N. O. B., Wassermann, T. N., Mata, R. A. and Suhm, M. A. (2013), The Last Globally Stable Extended Alkane . Angew. Chem. Int. Ed., 52: 463–466. doi: 10.1002/anie.201202894
- †
Publication History
- Issue published online: 20 DEC 2012
- Article first published online: 21 AUG 2012
- Manuscript Received: 16 APR 2012
Funded by
- DFG. Grant Numbers: Su 121/2, RTG 782
Keywords:
- chain molecules;
- conformational analysis;
- dispersion;
- molecular folding;
- Raman spectroscopy
Mother of all folding: Cold isolated linear alkanes CnH2n+2 prefer an extended all-trans conformation before cohesive forces between the chain ends induce a folded hairpin structure for longer chains. It is shown by Raman spectroscopy at 100–150 K that the folded structure becomes more stable beyond nC=17 or 18 carbon atoms. High-level quantum-chemical calculations yield nC=17±1 as the critical chain length.