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

Autor(es)

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]}

Afiliação do(s) autor(es)

^[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

• Tipo de documento: Artigo Científico
• Fonte: CrystEngComm; v. 21, n. 30, p. 4493-4500, AUG 14 2019.
• Citações Web of Science: 2

Resumo

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)

• Processo FAPESP: 12/13119-3 - Espectroscopia vibracional em fases condensadas
• Beneficiário: Mauro Carlos Costa Ribeiro
• Modalidade de apoio: Auxílio à Pesquisa - Temático
• Processo FAPESP: 14/15107-8 - Espectroscopia Raman em alta pressão, de aminas aromáticas a polímeros condutores.
• Beneficiário: Marcelo Medre Nobrega
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado
• Processo FAPESP: 15/09763-2 - Síntese e reatividade de anilina e compósitos de polianilina-ouro em alta pressão
• Beneficiário: Marcelo Medre Nobrega
• Modalidade de apoio: Bolsas no Exterior - Estágio de Pesquisa - Pós-Doutorado