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Polymeric carbodiimides as precursors for ceramic materials: Reaction mechanisms and tautomerism

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), pp. 596-607. Wiley VCH Verlag, ISSN 00442313,
[Article]

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.
Title: Polymeric carbodiimides as precursors for ceramic materials: Reaction mechanisms and tautomerism
Language: English
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.

Journal or Publication Title: Zeitschrift für anorganische und allgemeine Chemie
Journal volume: 628
Number: 3
Publisher: Wiley VCH Verlag
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
Official URL: http://dx.doi.org/10.1002/1521-3749(200205)628:4<901::AID-ZA...
Identification Number: doi:10.1002/1521-3749(200205)628:4<901::AID-ZAAC901>3.0.CO;2-9
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