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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

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

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Penna, Tatiana C. [1] ; Cervi, Gustavo [1] ; Rodrigues-Oliveira, Andre F. [1] ; Yamada, Bruno D. [1] ; Lima, Rafael Z. C. [1] ; Menegon, Jair J. [1] ; Bastos, Erick L. [1] ; Correra, Thiago C. [1]
Total Authors: 8
[1] Univ Sao Paulo, Inst Chem, Dept Fundamental Chem, Ave Prof Lineu Prestes 748, BR-05508000 Sao Paulo, SP - Brazil
Total Affiliations: 1
Document type: Journal article
Web of Science Citations: 0

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)

FAPESP's process: 14/15962-5 - Reaction mechanism of asymmetric catalysts by mass spectrometry and gas-phase vibrational ion spectroscopy
Grantee:Thiago Carita Correra
Support type: Research Grants - Young Investigators Grants
FAPESP's process: 15/08539-1 - Multi-User Equipment approved in grant 2014/15962-5: ion trap mass spectrometer modified to perform infrared vibrational spectroscopy (IRMPD)
Grantee:Thiago Carita Correra
Support type: Multi-user Equipment Program
FAPESP's process: 16/19698-6 - Instrumental development for mechanistic studies
Grantee:Gustavo Cervi
Support type: Scholarships in Brazil - Master
FAPESP's process: 19/06391-8 - Photophysical characterization and anti-inflammatory potential of betalains
Grantee:Erick Leite Bastos
Support type: Regular Research Grants
FAPESP's process: 17/20262-0 - Unraveling electrochemical reaction intermediates by mass spectrometry coupled to ion vibrational spectroscopy
Grantee:Tatiana Casselli Penna
Support type: Scholarships in Brazil - Post-Doctorate
FAPESP's process: 18/20592-3 - Build of a modular photoreactor
Grantee:Bruno Daiki Yamada
Support type: Scholarships in Brazil - Scientific Initiation