Poly(triazine imide) with intercalation of Lithium and ChlorideiIons [(C3N3)2(NHxLi1−x)3⋅LiCl]: A Crystalline 2D Carbon Nitride network

Wirnhier, Eva, Doblinger, Markus, Gunzelmann, Daniel, Senker, Jurgen, Lotsch, Bettina V. and Schnick, Wolfgang 2011, Poly(triazine imide) with intercalation of Lithium and ChlorideiIons [(C3N3)2(NHxLi1−x)3⋅LiCl]: A Crystalline 2D Carbon Nitride network, Chemistry : a European journal, vol. 17, no. 11, pp. 3213-3221, doi: 10.1002/chem.201002462.

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Title Poly(triazine imide) with intercalation of Lithium and ChlorideiIons [(C3N3)2(NHxLi1−x)3⋅LiCl]: A Crystalline 2D Carbon Nitride network
Author(s) Wirnhier, Eva
Doblinger, Markus
Gunzelmann, Daniel
Senker, Jurgen
Lotsch, Bettina V.
Schnick, Wolfgang
Journal name Chemistry : a European journal
Volume number 17
Issue number 11
Start page 3213
End page 3221
Total pages 9
Publisher Wiley
Place of publication London, Eng.
Publication date 2011-03-07
ISSN 1521-3765
Keyword(s) carbon nitrides
electron diffreaction
layered compounds
NMR spectroscopy
Summary Poly(triazine imide) with intercalation of lithium and chloride ions (PTI/Li+Cl−) was synthesized by temperature-induced condensation of dicyandiamide in a eutectic mixture of lithium chloride and potassium chloride as solvent. By using this ionothermal approach the well-known problem of insufficient crystallinity of carbon nitride (CN) condensation products could be overcome. The structural characterization of PTI/Li+Cl− resulted from a complementary approach using spectroscopic methods as well as different diffraction techniques. Due to the high crystallinity of PTI/Li+Cl− a structure solution from both powder X-ray and electron diffraction patterns using direct methods was possible; this yielded a triazine-based structure model, in contrast to the proposed fully condensed heptazine-based structure that has been reported recently. Further information from solid-state NMR and FTIR spectroscopy as well as high-resolution TEM investigations was used for Rietveld refinement with a goodness-of-fit (χ2) of 5.035 and wRp=0.05937. PTI/Li+Cl− (P63cm (no. 185); a=846.82(10), c=675.02(9) pm) is a 2D network composed of essentially planar layers made up from imide-bridged triazine units. Voids in these layers are stacked upon each other forming channels running parallel to [001], filled with Li+ and Cl− ions. The presence of salt ions in the nanocrystallites as well as the existence of sp2-hybridized carbon and nitrogen atoms typical of graphitic structures was confirmed by electron energy-loss spectroscopy (EELS) measurements. Solid-state NMR spectroscopy investigations using 15N-labeled PTI/Li+Cl− proved the absence of heptazine building blocks and NH2 groups and corroborated the highly condensed, triazine-based structure model.
Language eng
DOI 10.1002/chem.201002462
Field of Research 039999 Chemical Sciences not elsewhere classified
Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences
HERDC Research category C1.1 Refereed article in a scholarly journal
Copyright notice ©2011, Wiley
Persistent URL http://hdl.handle.net/10536/DRO/DU:30064411

Document type: Journal Article
Collection: Population Health
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