Charge Density Analysis of Low-Valent Tetrels

von Benedikt Niepötter
Dissertation
Datum der mündl. Prüfung:2016-01-15
Erschienen:2016-02-11
Betreuer:Prof. Dr. Dietmar Stalke
Gutachter:Prof. Dr. Dietmar Stalke
Gutachter:Prof. Dr. Sven Schneider
Gutachter:Prof. Dr. Ricardo A. Mata
Gutachter:Prof. Dr. Thomas Waitz
Gutachter:Dr. Heidrun Sowa
Gutachter:Dr. Francesca Fabbiani
Zum Verlinken/Zitieren: http://dx.doi.org/10.53846/goediss-5508

 

 

Dateien

Name:Dissertation_Benedikt_Niepoetter_pub.pdf
Size:13.9Mb
Format:PDF

Lizenzbestimmungen:

Zusammenfassung

Englisch

This thesis deals with the bonding situation of low valent tetrels. More precisely an experimental charge density study of the silylone (cAACcy)2Si was carried out in order to investigate whether the bonding in this new type of molecule is best described by the dual donor-acceptor bond or if silylones should be considered silicon congeners of allenes, showing cumulated double bonds. Furthermore, this work focuses on the improvement of the precision, reliability and validity of charge density studies of such complex organometallic molecules. I
Keywords: Silylone; Siladicarbene; Charge Density; Thermal Diffuse Scattering; Resolution Dependent Scaling; Rfree; Cross-Validation; Experimental Charge Density Study; cAAC
 
Statistik