In this study, we investigated the molecular characteristics of hydrates which were synthesized
from gas mixtures containing the two isomers of butane, or the pentane isomers neopentane and
isopentane, in excess methane. Thereto various techniques, including Raman spectroscopy, powder
and single crystal X-ray diffraction and 13C NMR spectroscopy were employed. It turned out
that shape and conformation of the guest molecule and hydrate structure both influence each
other. In case of the mixed butane hydrate it could be confirmed that n-butane is enclathrated in
its gauche conformation. This was verified by Raman spectroscopy, single crystal X-ray diffraction
and calculated data. While isopentane is known as a structure H former, our results from
powder X-ray diffraction, 13C NMR and ab initio calculations show that it can be also incorporated
into structure II when the hydrate is formed from a neopentane/isopentane/methane gas
mixture.
| Identifer | oai:union.ndltd.org:LACETR/oai:collectionscanada.gc.ca:BVAU.2429/1097 |
| Date | 07 1900 |
| Creators | Luzi, Manja, Schicks, Judith M., Naumann, Rudolf, Erzinger, Jörg, Udachin, Konstantin A., Moudrakovski, Igor L., Ripmeester, John A., Ludwig, Ralf |
| Source Sets | Library and Archives Canada ETDs Repository / Centre d'archives des thèses électroniques de Bibliothèque et Archives Canada |
| Language | English |
| Detected Language | English |
| Type | text |
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