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(Referência obtida automaticamente do Web of Science, por meio da informação sobre o financiamento pela FAPESP e o número do processo correspondente, incluída na publicação pelos autores.)

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

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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]
Número total de Autores: 8
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
Número total de Afiliações: 6
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: 15/09763-2 - Síntese e reatividade de anilina e compósitos de polianilina-ouro em alta pressão
Beneficiário:Marcelo Medre Nobrega
Linha de fomento: Bolsas no Exterior - Estágio de Pesquisa - Pós-Doutorado
Processo FAPESP: 12/13119-3 - Espectroscopia vibracional em fases condensadas
Beneficiário:Mauro Carlos Costa Ribeiro
Linha de fomento: Auxílio à Pesquisa - Temático
Processo FAPESP: 14/15107-8 - Espectroscopia Raman em alta pressão, de aminas aromáticas a polímeros condutores.
Beneficiário:Marcelo Medre Nobrega
Linha de fomento: Bolsas no Brasil - Pós-Doutorado