Raman Spectroscopy of Conformational Rearrangements at Low Temperatures Folding and Stretching of Alkanes in Supersonic Jets /

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 cha...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής
Κύριος συγγραφέας: Lüttschwager, Nils Olaf Bernd (Συγγραφέας)
Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
Γλώσσα:English
Έκδοση: Cham : Springer International Publishing : Imprint: Springer, 2014.
Σειρά:Springer Theses, Recognizing Outstanding Ph.D. Research,
Θέματα:
Διαθέσιμο Online:Full Text via HEAL-Link
LEADER 03415nam a22005295i 4500
001 978-3-319-08566-1
003 DE-He213
005 20151204172223.0
007 cr nn 008mamaa
008 140816s2014 gw | s |||| 0|eng d
020 |a 9783319085661  |9 978-3-319-08566-1 
024 7 |a 10.1007/978-3-319-08566-1  |2 doi 
040 |d GrThAP 
050 4 |a QD450-882 
072 7 |a PNR  |2 bicssc 
072 7 |a SCI013050  |2 bisacsh 
082 0 4 |a 541  |2 23 
100 1 |a Lüttschwager, Nils Olaf Bernd.  |e author. 
245 1 0 |a Raman Spectroscopy of Conformational Rearrangements at Low Temperatures  |h [electronic resource] :  |b Folding and Stretching of Alkanes in Supersonic Jets /  |c by Nils Olaf Bernd Lüttschwager. 
264 1 |a Cham :  |b Springer International Publishing :  |b Imprint: Springer,  |c 2014. 
300 |a XII, 183 p. 81 illus., 44 illus. in color.  |b online resource. 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
347 |a text file  |b PDF  |2 rda 
490 1 |a Springer Theses, Recognizing Outstanding Ph.D. Research,  |x 2190-5053 
505 0 |a Introduction -- Background -- Experimental -- Unbranched n-alkanes -- Perfluorinated alkanes -- Modulus of elasticity -- Summary and outlook -- Appendix. 
520 |a 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. 
650 0 |a Chemistry. 
650 0 |a Spectroscopy. 
650 0 |a Physical chemistry. 
650 0 |a Polymers. 
650 0 |a Atomic structure. 
650 0 |a Molecular structure. 
650 0 |a Spectra. 
650 1 4 |a Chemistry. 
650 2 4 |a Physical Chemistry. 
650 2 4 |a Atomic/Molecular Structure and Spectra. 
650 2 4 |a Spectroscopy/Spectrometry. 
650 2 4 |a Polymer Sciences. 
710 2 |a SpringerLink (Online service) 
773 0 |t Springer eBooks 
776 0 8 |i Printed edition:  |z 9783319085654 
830 0 |a Springer Theses, Recognizing Outstanding Ph.D. Research,  |x 2190-5053 
856 4 0 |u http://dx.doi.org/10.1007/978-3-319-08566-1  |z Full Text via HEAL-Link 
912 |a ZDB-2-CMS 
950 |a Chemistry and Materials Science (Springer-11644)