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Raman Spectroscopy of Conformational Rearrangements at Low Temperatures

Folding and Stretching of Alkanes in Supersonic Jets

  • Book
  • © 2014

Overview

Authors:
  1. Nils Olaf Bernd Lüttschwager

    1. Institute for Physical Chemistry, Georg August University, Göttingen, Germany

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  • Nominated by the Georg-August-University Göttingen (Germany) as an outstanding PhD thesis
  • Determines the detailed balance between stiffness, conformational flexibility and inter-chain attractions for important model compounds on a molecular level
  • Identifies the turning point in chain length, where alkanes prefer a folded hairpin structure instead of an extended stretched conformation
  • Hence provides an important reference for experimental and theoretical studies and models, for the first time on an interaction-free single-molecule basis
  • Includes supplementary material: sn.pub/extras

Part of the book series: Springer Theses (Springer Theses)

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Table of contents (7 chapters)

  1. Front Matter

    Pages i-xii
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  2. Introduction

    • Nils Olaf Bernd Lüttschwager
    Pages 1-6

  3. Background

    • Nils Olaf Bernd Lüttschwager
    Pages 7-17

  4. Experimental

    • Nils Olaf Bernd Lüttschwager
    Pages 19-36

  5. Unbranched n-Alkanes

    • Nils Olaf Bernd Lüttschwager
    Pages 37-117

  6. Perfluorinated Alkanes

    • Nils Olaf Bernd Lüttschwager
    Pages 119-126

  7. Modulus of Elasticity

    • Nils Olaf Bernd Lüttschwager
    Pages 127-144

  8. Summary and Outlook

    • Nils Olaf Bernd Lüttschwager
    Pages 145-148

  9. Back Matter

    Pages 149-183
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Keywords

About this book

This thesis identifies the turning point in chain length, after which alkanes self-solvate into a folded structure instead of an extended stretched conformation. After this turning point, London dispersion forces rearrange isolated n-alkanes into a particular hairpin-structure, while for shorter chain lengths, a simple stretched conformation is energetically preferred. This thesis can locate the experimental turning point for the first time in an interaction-free manner from measurements of unbranched alkanes at low temperatures in supersonic jet expansions. It contains a detailed analysis of the vibrational Raman spectra of the chain molecules, which is supported by comprehensive quantum chemical simulations. In this way, the detailed balance between inter-chain attraction and conformational flexibility can be quantified. The investigations are complemented by measurements of perfluoroalkanes and similarities and differences between the compounds are discussed. Furthermore, Nils Lüttschwager determines the stiffnesses (elastic moduli) of two of the most common industrial polymers: polyethylene and polytetrafluorethylene. He uses in this thesis a sophisticated extrapolation to calculate this value from quantities of their building blocks, showing that the single polymer molecules can be as stiff as a rod of steel.

Authors and Affiliations

  • Institute for Physical Chemistry, Georg August University, Göttingen, Germany

    Nils Olaf Bernd Lüttschwager

Bibliographic Information

  • Book Title: Raman Spectroscopy of Conformational Rearrangements at Low Temperatures

  • Book Subtitle: Folding and Stretching of Alkanes in Supersonic Jets

  • Authors: Nils Olaf Bernd Lüttschwager

  • Series Title: Springer Theses

  • DOI: https://doi.org/10.1007/978-3-319-08566-1

  • Publisher: Springer Cham

  • eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)

  • Copyright Information: Springer International Publishing Switzerland 2014

  • Hardcover ISBN: 978-3-319-08565-4Published: 29 August 2014

  • Softcover ISBN: 978-3-319-35976-2Published: 10 September 2016

  • eBook ISBN: 978-3-319-08566-1Published: 16 August 2014

  • Series ISSN: 2190-5053

  • Series E-ISSN: 2190-5061

  • Edition Number: 1

  • Number of Pages: XII, 183

  • Number of Illustrations: 37 b/w illustrations, 44 illustrations in colour

  • Topics: Physical Chemistry, Atomic/Molecular Structure and Spectra, Spectroscopy/Spectrometry, Polymer Sciences

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