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

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 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 spectramore » 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.« less

Authors:
 [1];  [1];  [2];  [3];  [1];  [3];  [4]; ;  [1];  [1]
  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)
Publication Date:
OSTI Identifier:
21372331
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 182; Journal 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.
Country of Publication:
United States
Language:
English
Subject:
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

Citation Formats

McMillan, Paul F., E-mail: p.f.mcmillan@ucl.ac.u, Lees, Victoria, Quirico, Eric, Montagnac, Gilles, Sella, Andrea, Reynard, Bruno, Simon, Patrick, Bailey, Edward, Deifallah, Malek, and Cora, Furio, E-mail: uccacfu@ucl.ac.u. Graphitic carbon nitride C{sub 6}N{sub 9}H{sub 3}.HCl: Characterisation by UV and near-IR FT Raman spectroscopy. United States: N. p., 2009. Web. doi:10.1016/j.jssc.2009.07.030.
McMillan, Paul F., E-mail: p.f.mcmillan@ucl.ac.u, Lees, Victoria, Quirico, Eric, Montagnac, Gilles, Sella, Andrea, Reynard, Bruno, Simon, Patrick, Bailey, Edward, Deifallah, Malek, & Cora, Furio, E-mail: uccacfu@ucl.ac.u. Graphitic carbon nitride C{sub 6}N{sub 9}H{sub 3}.HCl: Characterisation by UV and near-IR FT Raman spectroscopy. United States. doi:10.1016/j.jssc.2009.07.030.
McMillan, Paul F., E-mail: p.f.mcmillan@ucl.ac.u, Lees, Victoria, Quirico, Eric, Montagnac, Gilles, Sella, Andrea, Reynard, Bruno, Simon, Patrick, Bailey, Edward, Deifallah, Malek, and Cora, Furio, E-mail: uccacfu@ucl.ac.u. Thu . "Graphitic carbon nitride C{sub 6}N{sub 9}H{sub 3}.HCl: Characterisation by UV and near-IR FT Raman spectroscopy". United States. doi:10.1016/j.jssc.2009.07.030.
@article{osti_21372331,
title = {Graphitic carbon nitride C{sub 6}N{sub 9}H{sub 3}.HCl: Characterisation by UV and near-IR FT Raman spectroscopy},
author = {McMillan, Paul F., E-mail: p.f.mcmillan@ucl.ac.u and Lees, Victoria and Quirico, Eric and Montagnac, Gilles and Sella, Andrea and Reynard, Bruno and Simon, Patrick and Bailey, Edward and Deifallah, Malek and Cora, Furio, E-mail: uccacfu@ucl.ac.u},
abstractNote = {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.},
doi = {10.1016/j.jssc.2009.07.030},
journal = {Journal of Solid State Chemistry},
number = 10,
volume = 182,
place = {United States},
year = {Thu Oct 15 00:00:00 EDT 2009},
month = {Thu Oct 15 00:00:00 EDT 2009}
}