Lichtenberger, O. ; Woltersdorf, J. ; Riedel, R. (2002)
Polymeric carbodiimides as precursors for ceramic materials: Reaction mechanisms and tautomerism.
In: Zeitschrift für anorganische und allgemeine Chemie, 628 (3)
doi: 10.1002/1521-3749(200205)628:4<901::AID-ZAAC901>3.0.CO;2-9
Article, Bibliographie
Abstract
The reaction mechanisms for the synthesis of polymeric silicon and titanium carbodiimides via the element chlorides and bis(trimethylsilyl)-carbodiimid, used as precursors for ceramic materials, have beer, investigated using quantumchemical methods. The influence of organic bases as catalysts on the transition state and the thermodynamics of the reaction are discussed. The ratio of the tautomers carbodiimid - cyanamid depending on the heteroatom, the solvent and the temperature, has been determined using ab-initio methods (density functional theory). The results of the theoretical calculations are confirmed by IR and UV spectroscopic data.
| Item Type: | Article |
|---|---|
| Erschienen: | 2002 |
| Creators: | Lichtenberger, O. ; Woltersdorf, J. ; Riedel, R. |
| Type of entry: | Bibliographie |
| Title: | Polymeric carbodiimides as precursors for ceramic materials: Reaction mechanisms and tautomerism |
| Language: | English |
| Date: | March 2002 |
| Publisher: | Wiley VCH Verlag |
| Journal or Publication Title: | Zeitschrift für anorganische und allgemeine Chemie |
| Volume of the journal: | 628 |
| Issue Number: | 3 |
| DOI: | 10.1002/1521-3749(200205)628:4<901::AID-ZAAC901>3.0.CO;2-9 |
| Abstract: | The reaction mechanisms for the synthesis of polymeric silicon and titanium carbodiimides via the element chlorides and bis(trimethylsilyl)-carbodiimid, used as precursors for ceramic materials, have beer, investigated using quantumchemical methods. The influence of organic bases as catalysts on the transition state and the thermodynamics of the reaction are discussed. The ratio of the tautomers carbodiimid - cyanamid depending on the heteroatom, the solvent and the temperature, has been determined using ab-initio methods (density functional theory). The results of the theoretical calculations are confirmed by IR and UV spectroscopic data. |
| Uncontrolled Keywords: | silicon carbodiimides, titanium carbodiimides, polymers, ab-initio calculations |
| Divisions: | 11 Department of Materials and Earth Sciences > Material Science > Dispersive Solids 11 Department of Materials and Earth Sciences > Material Science 11 Department of Materials and Earth Sciences |
| Date Deposited: | 26 Apr 2012 11:20 |
| Last Modified: | 05 Mar 2013 10:00 |
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