Charge Density Distribution in Low-Valent Tetrels

Kratzert, Daniel

dc.contributor.advisor	Stalke, Dietmar Prof. Dr.	de
dc.contributor.author	Kratzert, Daniel	de
dc.date.accessioned	2013-05-22T09:24:31Z	de
dc.date.available	2013-05-22T09:24:31Z	de
dc.date.issued	2013-05-22	de
dc.identifier.uri	http://hdl.handle.net/11858/00-1735-0000-001C-63A3-B	de
dc.identifier.uri	http://dx.doi.org/10.53846/goediss-3798
dc.identifier.uri	http://dx.doi.org/10.53846/goediss-3798
dc.language.iso	eng	de
dc.publisher	Niedersächsische Staats- und Universitätsbibliothek Göttingen	de
dc.rights.uri	http://creativecommons.org/licenses/by-nc-nd/3.0/
dc.subject.ddc	540	de
dc.title	Charge Density Distribution in Low-Valent Tetrels	de
dc.type	doctoralThesis	de
dc.contributor.referee	Stalke, Dietmar Prof. Dr.	de
dc.date.examination	2013-04-09	de
dc.description.abstracteng	The scope of this work was the analysis of the electron density of low valent tetreles. For silicon and carbon-containing compounds. Especially low valent silicon compounds are of great interest because their synthesis has always been a challenging target. Since the chemistry of aromatic systems with low-valent silicon is a relatively new field, obtaining new information on their fundamental properties is likely to help with the understanding their reactivity and synthetic access. The investigation of low-valent silicon compounds in terms of experimental electron density analysis has always been difficult. Low-valent silicon compounds are only stable when they are stored at low temperature or kinetically stabilized with sterically demanding ligands. However, such ligands often do not pack well while forming single crystals. Instead, they are almost always disordered and the analysis of the electron density in combination with disorder is difficult. The multipole refinement with X-ray data of small molecules up to about thirty atoms has become a quasi-routine method over the last years. Most common refinement programs focus on this, unfortunately. Much less attention has been paid to the multipole refinement of larger molecules and disorder treatment. The aim of this study was the development of the nece¬ssary procedures for the treatment of disorder and perform a complete electron density analysis even if major parts of the molecule were disordered. The Invariom approach was a key tool to model the disordered parts of the structures with aspherical density and also allowed to refine certain parts of a molecule freely.	de
dc.contributor.coReferee	Sheldrick, George M. Prof. Dr.	de
dc.contributor.thirdReferee	Roesky, Herbert W. Prof. Dr. Dr. h.c.	de
dc.contributor.thirdReferee	Siewert, Inke Dr.	de
dc.contributor.thirdReferee	Sowa, Heidrun Dr.	de
dc.contributor.thirdReferee	Waitz, Thomas Prof. Dr.	de
dc.subject.ger	Low valent Silicon	de
dc.subject.ger	Silicon	de
dc.subject.ger	Charge density	de
dc.subject.ger	electron density	de
dc.subject.ger	experimental charge density	de
dc.subject.ger	XD2006	de
dc.subject.ger	AIM	de
dc.subject.ger	disorder	de
dc.subject.ger	X-ray	de
dc.subject.eng	Low valent Silicon	de
dc.subject.eng	Silicon	de
dc.subject.eng	Charge density	de
dc.subject.eng	electron density	de
dc.subject.eng	experimental charge density	de
dc.subject.eng	XD2006	de
dc.subject.eng	AIM	de
dc.subject.eng	disorder	de
dc.subject.eng	X-ray	de
dc.identifier.urn	urn:nbn:de:gbv:7-11858/00-1735-0000-001C-63A3-B-6	de
dc.affiliation.institute	Fakultät für Chemie	de
dc.subject.gokfull	Chemie (PPN62138352X)	de
dc.identifier.ppn	746943660	de

Dateien

Name:Promo-Daniel-Kratzert2.pdf

Größe:13.55Mb

Format:PDF

Öffnen

Name:: Promo-Daniel-Kratzert2.pdf
Größe:: 13.55Mb
Format:: PDF

Öffnen

Das Dokument erscheint in:

Fakultät für Chemie (inkl. GAUSS) [700]

Zur Kurzanzeige