Donor stabilized germylenes and their transition metal complexes: structure, bonding, and thermochemistry

The Atrium, University of Guelph Institutional Repository

Donor stabilized germylenes and their transition metal complexes: structure, bonding, and thermochemistry

Show full item record

Title: Donor stabilized germylenes and their transition metal complexes: structure, bonding, and thermochemistry
Author: Marc, Baumeister
Department: Department of Chemistry
Program: Chemistry
Advisor: Denk, Michael
Abstract: This thesis investigates the stabilization of divalent germanium using substituted diethanol amine ligands. Germylenes of type RN(CH2CH2OH)2Ge were obtained from N-heterocyclic germylenes and N-alkyl diethanol amines in yields of up to 94%. Single crystal X-ray diffraction confims the presence of a transannular Ge-N dative bond in all cases. In addition, intermolecular dimers containing Ge2O2 rings are formed for R = Me and Et. Reaction of the four germylenes L with nickel carbonyl yielded the respective germylene complexes L2Ni(CO)2 and LNi(CO)3. The germylenes and their complexes were investigated with DFT methods. Only four methods, SVWN, BB1K, MPWB1K and M062x gave acceptable Ge-N distances. Dimerization energies of the germylenes were examined with the thermochemically accurate M062x method. At the M062x/Def2-TZVP level, the dimerization energies of the germylenes are very small (ΔG° ≈ 0 kcal/mol). The experimentally observed dimerization or lack thereof may accordingly be determined by packing effects in the solid state or solvation energies in solution.
URI: http://hdl.handle.net/10214/3253
Date: 2012-01-09


Files in this item

Files Size Format View
Marc Baumeister MSc Theisis_Final_3.pdf 4.848Mb PDF View/Open

This item appears in the following Collection(s)

Show full item record

http://creativecommons.org/licenses/by-nc-nd/2.5/ca/ Except where otherwise noted, this item's license is described as http://creativecommons.org/licenses/by-nc-nd/2.5/ca/

Search the Atrium


Advanced Search

Browse

My Account