The stiffness of a fully stretched polyethylene chain: A Raman jet spectroscopy extrapolation

The stiffness of a fully stretched polyethylene chain: A Raman jet spectroscopy extrapolation
Wassermann, T. N.; Thelemann, J.; Zielke, P. & Suhm, M. A.  (2009) 
The Journal of Chemical Physics131(16) art. 161108.​

Authors
Wassermann, Tobias N.; Thelemann, Jonas; Zielke, Philipp; Suhm, Martin A. 
Issue Date
2009
Type
Journal Article
Publisher
Amer Inst Physics
Journal
The Journal of Chemical Physics 
Organization
Institut für Physikalische Chemie 
ISSN
0021-9606
Abstract
Linear alkanes with n=5-16 C-atoms are partially relaxed into their stretched all-trans conformation by supersonic jet expansion. Their longitudinal acoustic modes are identified by spontaneous Raman scattering and deperturbed from transverse bending mode components and Fermi resonance with combination states of the same symmetry. Comparison with quantum chemical predictions of the longitudinal modes in hydrocarbon chains with up to 54 C-atoms allows for a reliable extrapolation to the limiting product n.(nu) over tilde (n)= 2310 +/- 30 cm(-1) for large n, from which the elastic modulus of an ideal polyethylene chain in vacuum may be estimated at 309 +/- 8 GPa. Differences to solid state determinations of this quantity are discussed. (C) 2009 American Institute of Physics. [doi:10.1063/1.3256221]
Publication of Göttingen University
Yes
Sponsor
Funder: DFG [Su 121/2]
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