How well can we predict cluster fragmentation inside a mass spectrometer?

Monica Passananti; Evgeni Zapadinsky; Tommaso Zanca; Juha Kangasluoma; Nanna Myllys; Matti P. Rissanen; Theo Kurtén; Mikael Ehn; Michel Attoui; Hanna Vehkamäki

doi:10.1039/C9CC02896J

How well can we predict cluster fragmentation inside a mass spectrometer?†

Monica Passananti,

‡*^a Evgeni Zapadinsky,^a Tommaso Zanca,^a Juha Kangasluoma,^ab Nanna Myllys,

§^a Matti P. Rissanen,^a Theo Kurtén,^c Mikael Ehn,

^a Michel Attoui^d and Hanna Vehkamäki^a

Author affiliations

* Corresponding authors

^a Institute for Atmospheric and Earth System Research/Physics, Faculty of Science, University of Helsinki, Finland
E-mail: monica.passananti@helsinki.fi

^b Aerosol and Haze Laboratory, Beijing Advanced Innovation Center for Soft Matter Science and Engineering, Beijing University of Chemical Technology, 100029 Beijing, China

^c Institute for Atmospheric and Earth System Research/Chemistry, Faculty of Science, University of Helsinki, Finland

^d LISA, UMR CNRS 7583, UPEC et UPD, IPSL, 61, av du Général de Gaulle, 94010 Créteil, France

Abstract

Fragmentation of molecular clusters inside mass spectrometers is a significant source of uncertainty in a wide range of chemical applications. We have measured the fragmentation of sulfuric acid clusters driving atmospheric new-particle formation, and developed a novel model, based on first principles calculations, capable of quantitatively predicting the extent of fragmentation.

Chemical Communications

How well can we predict cluster fragmentation inside a mass spectrometer?†

Abstract

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How well can we predict cluster fragmentation inside a mass spectrometer?

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