Charge Density Analysis of Low-Valent Tetrels

by Benedikt Niepötter
Doctoral thesis
Date of Examination:2016-01-15
Date of issue:2016-02-11
Advisor:Prof. Dr. Dietmar Stalke
Referee:Prof. Dr. Dietmar Stalke
Referee:Prof. Dr. Sven Schneider
Referee:Prof. Dr. Ricardo A. Mata
Referee:Prof. Dr. Thomas Waitz
Referee:Dr. Heidrun Sowa
Referee:Dr. Francesca Fabbiani
Persistent Address: http://dx.doi.org/10.53846/goediss-5508

 

 

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Abstract

English

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
 
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