Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions

Author(s)

Fanetti, Samuele ^{[1, 2]} ; Nobrega, Marcelo M. ^{[3, 1]} ; Dziubek, Kamil ^{[1, 4]} ; Citroni, Margherita ^[1] ; Sella, Andrea ^[5] ; McMillan, Paul F. ^[5] ; Hanfland, Michael ^[6] ; Bini, Roberto ^{[1, 4, 2]}

Affiliation

^[1] LENS, European Lab Nonlinear Spect, Via N Carrara 1, I-50019 Florence - Italy

^[2] Univ Firenze, Dipartimento Chim Ugo Schiff, Via Lastruccia 3, I-50019 Sesto Fiorentino - Italy

^[3] Univ Sao Paulo, Inst Quim, Dept Quim Fundamental, CP 26077, BR-05513970 Sao Paulo - Brazil

^[4] ICCOM, Ist Chim Composti OrganoMetall, Via Madonna Piano 10, I-50019 Florence - Italy

^[5] UCL, Dept Chem, 20 Gordon St, London WC1H 0AJ - England

^[6] European Synchrotron Radiat Facil, 71 Ave Martyrs, CS 4022038043, Grenoble 9 - France

• Document type: Journal article
• Source: CrystEngComm; v. 21, n. 30, p. 4493-4500, AUG 14 2019.
• Web of Science Citations: 2

Abstract

2,4,6-Tricyano-1,3,5-triazine is an attractive precursor for the synthesis of extended layered and nanoporous carbon nitrides. Using high pressure can achieve this via one-step condensation reactions. As a first step towards this goal we have characterized the structural properties and stability P-T range of the monomer (phase I) using synchrotron X-ray diffraction combined with FTIR spectroscopy under combined high pressure and high temperature conditions in a resistively heated diamond anvil cell. A new high pressure structure (phase II) appeared following compression to above 2.4 GPa at ambient temperature. The structure was identified as orthorhombic belonging to space group P2(1)2(1)2(1). The pressure-temperature conditions of the I-II phase boundary, as well as the melting line have been established. The chemical transformation of the phase II crystal was studied between 4 and 10 GPa at temperatures ranging from 550 to 300 K. X-ray and spectroscopic examination of the reaction products revealed a crystalline phase that could be assigned to a layered carbon nitride containing linked s-triazine rings along with amorphous material. Analysis of the kinetics indicates that the structural transformation is driven by defect formation. (AU)

• FAPESP's process: 12/13119-3 - Vibrational spectroscopy in condensed phases
• Grantee: Mauro Carlos Costa Ribeiro
• Support Opportunities: Research Projects - Thematic Grants
• FAPESP's process: 14/15107-8 - High pressure Raman spectroscopy, from aromatics amines to conducting polymers.
• Grantee: Marcelo Medre Nobrega
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• FAPESP's process: 15/09763-2 - High pressure synthesis and reactivity of aniline and polyaniline-gold composites
• Grantee: Marcelo Medre Nobrega
• Support Opportunities: Scholarships abroad - Research Internship - Post-doctor