Graphitic carbon nitride C{sub 6}N{sub 9}H{sub 3}.HCl: Characterisation by UV and near-IR FT Raman spectroscopy

Journal Article · Thu Oct 15 00:00:00 EDT 2009 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2009.07.030· OSTI ID:21372331

Lees, Victoria ^[1]; Quirico, Eric ^[2]; Montagnac, Gilles ^[3]; Sella, Andrea ^[1]; Reynard, Bruno ^[3]; Simon, Patrick ^[4]; Bailey, Edward; Deifallah, Malek ^[1]; Cora, Furio ^[1]

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1. Department of Chemistry and Materials Chemistry Centre, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom)
2. Universite Joseph Fourier, CNRS/INSU, Laboratoire de Planetologie de Grenoble UMR 5109, Batiment D de Physique, BP 53, 38041 Grenoble Cedex 9 (France)
3. Laboratoire de Sciences de la Terre, Ecole Normale Superieure de Lyon, 46 allee d'Italie 69364 Lyon Cedex 7 (France)
4. Centre de Recherche sur les Materiaux a Haute Temperature - CNRS F - 45071 Orleans Cedex 2 et Universite d'Orleans, F-45067 Orleans Cedex 2 (France)

The graphitic layered compound C{sub 6}N{sub 9}H{sub 3}.HCl was prepared by reaction between melamine and cyanuric chloride under high pressure-high temperature conditions in a piston cylinder apparatus and characterised using SEM, powder X-ray diffraction, UV Raman and near-IR Fourier transform Raman spectroscopy with near-IR excitation. Theoretical calculations using density functional methods permitted evaluation of the mode of attachment of H atoms to nitrogen sites in the structure and a better understanding of the X-ray diffraction pattern. Broadening in the UV and near-IR FT Raman spectra indicate possible disordering of the void sites within the graphitic layers or it could be due to electron-phonon coupling effects. - Graphical abstract: The graphitic layered compound C{sub 6}N{sub 9}H{sub 3}.HCl was prepared by reaction between melamine and cyanuric chloride under high pressure-high temperature conditions in a piston cylinder apparatus and characterised using SEM, powder X-ray diffraction, UV Raman and near-IR Fourier transform Raman spectroscopy using near-IR excitation. Theoretical calculations using density functional methods permitted evaluation of the mode of attachment of H atoms to nitrogen sites around the C{sub 12}N{sub 12} voids within the layered structure and also led to better understanding of the X-ray diffraction pattern. Sharp peaks in the UV Raman spectra are due to C{sub 3}N{sub 3} triazine ring units in the structure, that may be enhanced by resonance Raman effects. Broadening in the UV and near-IR FT Raman spectra indicate possible disordering within the graphitic layers or electron-phonon coupling effects.

• OSTI ID: 21372331
• Journal Information: Journal of Solid State Chemistry, Vol. 182, Issue 10; Other Information: DOI: 10.1016/j.jssc.2009.07.030; PII: S0022-4596(09)00336-3; Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CARBON NITRIDES
DENSITY FUNCTIONAL METHOD
ELECTRON-PHONON COUPLING
GRAPHITE
HYDROCHLORIC ACID
INFRARED SPECTRA
MELAMINE
RAMAN SPECTRA
RAMAN SPECTROSCOPY
SCANNING ELECTRON MICROSCOPY
ULTRAVIOLET SPECTRA
VOIDS
X-RAY DIFFRACTION
AMINES
AZINES
CALCULATION METHODS
CARBON
CARBON COMPOUNDS
CHLORINE COMPOUNDS
COHERENT SCATTERING
COUPLING
DIFFRACTION
ELECTRON MICROSCOPY
ELEMENTS
HALOGEN COMPOUNDS
HETEROCYCLIC COMPOUNDS
HYDROGEN COMPOUNDS
INORGANIC ACIDS
INORGANIC COMPOUNDS
LASER SPECTROSCOPY
MICROSCOPY
MINERALS
NITRIDES
NITROGEN COMPOUNDS
NONMETALS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PNICTIDES
SCATTERING
SPECTRA
SPECTROSCOPY
TRIAZINES
VARIATIONAL METHODS