Development of a photoinduced fragmentation ion trap for infrared multiple photon dissociation spectroscopy

Autor(es)

Penna, Tatiana C. ; Cervi, Gustavo ; Rodrigues-Oliveira, Andre F. ; Yamada, Bruno D. ; Lima, Rafael Z. C. ; Menegon, Jair J. ; Bastos, Erick L. ; Correra, Thiago C.

• Tipo de documento: Artigo Científico
• Fonte: RAPID COMMUNICATIONS IN MASS SPECTROMETRY; v. 34, p. 12-pg., 2020-02-08.

Resumo

Rationale Methods for isomer discrimination by mass spectroscopy are of increasing interest. Here we describe the development of a three-dimensional ion trap for infrared multiple photon dissociation (IRMPD) spectroscopy that enables the acquisition of the infrared spectrum of selected ions in the gas phase. This system is suitable for the study of a myriad of chemical systems, including isomer mixtures. Methods A modified three-dimensional ion trap was coupled to a CO2 laser and an optical parametric oscillator/optical parametric amplifier (OPO/OPA) system operating in the range 2300 to 4000 cm(-1). Density functional theory vibrational frequency calculations were carried out to support spectral assignments. Results Detailed descriptions of the interface between the laser and the mass spectrometer, the hardware to control the laser systems, the automated system for IRMPD spectrum acquisition and data management are presented. The optimization of the crystal position of the OPO/OPA system to maximize the spectroscopic response under low-power laser radiation is also discussed. Conclusions OPO/OPA and CO2 laser-assisted dissociation of gas-phase ions was successfully achieved. The system was validated by acquiring the IRMPD spectra of model species and comparing with literature data. Two isomeric alkaloids of high economic importance were characterized to demonstrate the potential of this technique, which is now available as an open IRMPD spectroscopy facility in Brazil. (AU)

• Processo FAPESP: 18/20592-3 - Construção de um fotorreator modular
• Beneficiário: Bruno Daiki Yamada
• Modalidade de apoio: Bolsas no Brasil - Iniciação Científica
• Processo FAPESP: 17/20262-0 - Acoplamento de espectrometria de massas e espectroscopia vibracional de íons visando ao estudo de intermediários de reações eletroquímicas
• Beneficiário: Tatiana Casselli Penna
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado
• Processo FAPESP: 16/19698-6 - Desenvolvimento de instrumentação para estudos mecanísticos
• Beneficiário: Gustavo Cervi
• Modalidade de apoio: Bolsas no Brasil - Mestrado
• Processo FAPESP: 19/06391-8 - Caracterização fotofísica e potencial anti-inflamatório de betalaínas
• Beneficiário: Erick Leite Bastos
• Modalidade de apoio: Auxílio à Pesquisa - Regular
• Processo FAPESP: 15/08539-1 - EMU concedido no processo 2014/15962-5: espectrômetro de massas tipo íon TRAP modificado para realização de espectroscopia vibracional no infravermelho (IRMPD)
• Beneficiário: Thiago Carita Correra
• Modalidade de apoio: Auxílio à Pesquisa - Programa Equipamentos Multiusuários
• Processo FAPESP: 14/15962-5 - Mecanismos de reação de sistemas catalíticos assimétricos por espectrometria de massas e espectroscopia vibracional de íons na fase gasosa
• Beneficiário: Thiago Carita Correra
• Modalidade de apoio: Auxílio à Pesquisa - Jovens Pesquisadores