Investigating the hydration and structural changes of molecular organic materials under high-pressure conditions

Granero-García, Rubén

dc.contributor.advisor	Fabbiani, Francesca Dr.
dc.contributor.author	Granero-García, Rubén
dc.date.accessioned	2016-11-18T10:25:12Z
dc.date.available	2016-11-18T10:25:12Z
dc.date.issued	2016-11-18
dc.identifier.uri	http://hdl.handle.net/11858/00-1735-0000-002B-7CB2-2
dc.identifier.uri	http://dx.doi.org/10.53846/goediss-5986
dc.language.iso	eng	de
dc.publisher	Niedersächsische Staats- und Universitätsbibliothek Göttingen	de
dc.rights.uri	http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subject.ddc	540	de
dc.title	Investigating the hydration and structural changes of molecular organic materials under high-pressure conditions	de
dc.type	doctoralThesis	de
dc.contributor.referee	Kuhs, Werner F. Prof. Dr.
dc.date.examination	2016-06-09
dc.description.abstracteng	Hydrate formation is inherent to many organic molecules and yet our understanding of how the process takes places, as well as our ability to predict it, is limited. In order to provide an answer to these problems, more empirical knowledge is needed. High-pressure crystallisation and compression have proven to be reliable ways to access hydrates (and also other solvates and polymorphs) which cannot be obtained otherwise. Hence, in the present work high pressure has been used to produce new hydrates of known substances, whose structures have been determined by X-ray diffraction and further explored by molecular dynamics, with the intention of widening our knowledge on how hydrates form and transform. This work is divided into three sections: first, the structures of existing high-pressure hydrates have been studied in a systematic way searching for features common to all of them; second, several cyclodextrins have been studied under pressure, with an special emphasis on hydration in the solid state; and third, the high-pressure behaviour of tert-butylamine has been analysed, reporting new hydrates and deepening into the properties of the compressed anhydrate.	de
dc.contributor.coReferee	Corry, Ben Prof. Dr.
dc.subject.eng	Inclusion compounds	de
dc.subject.eng	Hydrates	de
dc.subject.eng	Molecular dynamics	de
dc.subject.eng	Cyclodextrin	de
dc.subject.eng	Butylamine	de
dc.subject.eng	High pressure	de
dc.subject.eng	Crystallisation	de
dc.subject.eng	Crystallography	de
dc.identifier.urn	urn:nbn:de:gbv:7-11858/00-1735-0000-002B-7CB2-2-9
dc.affiliation.institute	Fakultät für Chemie	de
dc.subject.gokfull	Chemie (PPN62138352X)	de
dc.identifier.ppn	872808181

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Fakultät für Chemie (inkl. GAUSS) [701]

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