Stretching and folding of 2-nanometer hydrocarbon rods

Stretching and folding of 2-nanometer hydrocarbon rods
Lüttschwager, N. O. B. & Suhm, M. A. (2014) 
Soft Matter10(27) art. Advance Article.​

Authors
Lüttschwager, Nils O. B.; Suhm, Martin A.
Issue Date
2014
Type
Journal Article
Publisher
Royal Soc Chemistry
Journal
Soft Matter
Organization
Institut für Physikalische Chemie 
ISSN
1744-6848
eISSN
1744-6848
Language
English
Abstract
Linear alkanes CnH2n+2 in vacuum isolation are finite models for an infinite polyethylene chain. Using spontaneous Raman scattering in supersonic jet expansions for n = 13–21 in different spectral ranges, we determine the minimal chain length nh for the cohesion-driven folding of the preferred extended all-trans conformation into a hairpin structure. We treat fully stretched all-trans alkanes as molecular “nanorods” and derive Young's modulus E for the stretching of an isolated single-strand polyethylene fibre by extrapolating the longitudinal acoustic mode to infinite chain length. Two key quality parameters for accurate intra- and intermolecular force fields of hydrocarbons (nh = 18 ± 1, E = 305 ± 5 GPa) are thus derived with high accuracy from experimental spectroscopy.
Publication of Göttingen University
Yes
Advance Article2.11 MBAdobe PDFSupplementary information171.17 kBAdobe PDFAdvance Article2.11 MBUnknownSupplementary information171.17 kBUnknown

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