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Mass Spectrometry of Isomeric Ions

Total Cost €


EC-Contrib. €






 IsoMS project word cloud

Explore the words cloud of the IsoMS project. It provides you a very rough idea of what is the project "IsoMS" about.

principal    mobilities    link    isobaric    ms    shapes    separated    kinetics    condensed    advantage    distinguishing    charge    reactant    spectra    differences    electrospray    heart    newly    mixtures    gain    mass    reactivity    portfolio    reactions    secular    reaction    isolated    gas    modern    record    structure    infrared    catalytic    sensitivity    quadrupole    pertinent    ratios    labelling    expand    mechanism    ion    combine    spectrometry    trap    linear    probing    routinely    combination    tagging    cryogenic    excitation    ionic    stored    ionization    dissociation    investigations    technique    cryo    times    trapping    lived    experiments    tools    storage    resonant    situ    separation    gaseous    ions    unparalleled    abundance    esi    question    intermediates    modifying    found    reactive    spectroscopic    instrument    molecules    motion    helium    resolved    perform    directions    mobility    combined    species    relate    dipolar    electric    delayed    abundant    collisions    neutral   

Project "IsoMS" data sheet

The following table provides information about the project.


Organization address
postcode: 6525 EZ

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Netherlands [NL]
 Project website
 Total cost 1˙612˙500 €
 EC max contribution 1˙612˙500 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2015-CoG
 Funding Scheme ERC-COG
 Starting year 2016
 Duration (year-month-day) from 2016-07-01   to  2021-06-30


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
2    UNIVERZITA KARLOVA CZ (PRAHA 1) participant 429˙730.00


 Project objective

Mass spectrometry (MS) in combination with electrospray ionization (ESI) is one of the principal tools currently used to gain insight into newly developed catalytic reactions. It is used to identify key reaction intermediates and to study their structure and reactivity. This proposal is based on the combination of modern MS approaches with novel experiments in a unique cryo-trapping instrument. This combination allows the study of short-lived ionic species that cannot be studied by other known methods. Our distinguishing feature is the in situ helium-tagging of ions, which allows us to record their infrared spectra via a pre-dissociation technique. Here, we will go beyond this state-of-the-art approach in two directions: (1) The unparalleled advantage of ESI-MS is its high sensitivity to low-abundant and reactive species. The pertinent question at the heart of all reaction mechanism investigations via MS is how the ions found in the gas-phase relate to the condensed-phase reaction. We will address this question using “Delayed Reactant Labelling”, which will directly link condensed phase kinetics to the abundance of isolated gaseous ions. (2) We will take advantage of long storage times in our cryogenic linear quadrupole trap and expand the portfolio of the methods available to address mixtures of ions with the same mass. Isobaric mixtures are resolved in MS by differences in ion mobilities, i.e. the ions are separated by their mass-to-charge ratios and by their shapes. We will perform ion mobility separation directly in the trap by excitation of the ion secular motion using a resonant dipolar electric field. Further, we will combine cryo-trapping experiments with the probing or modifying of the stored ions by reactive collisions with neutral molecules. The mobility experiments and the reactivity probing will be routinely combined with spectroscopic experiments.


year authors and title journal last update
List of publications.
2019 Jan Zelenka, Radek Cibulka, Jana Roithová
Flavinium Catalysed Photooxidation: Detection and Characterization of Elusive Peroxyflavinium Intermediates
published pages: 15412-15420, ISSN: 1433-7851, DOI: 10.1002/anie.201906293
Angewandte Chemie International Edition 58/43 2020-03-05
2019 Erik Andris, Rafael Navrátil, Juraj Jašík, Martin Srnec, Mònica Rodríguez, Miquel Costas, Jana Roithová
M−O Bonding Beyond the Oxo Wall: Spectroscopy and Reactivity of Cobalt(III)-Oxyl and Cobalt(III)-Oxo Complexes
published pages: 9619-9624, ISSN: 1433-7851, DOI: 10.1002/anie.201904546
Angewandte Chemie International Edition 58/28 2020-03-05
2019 Margarida Borrell, Erik Andris, Rafael Navrátil, Jana Roithová, Miquel Costas
Characterized cis-FeV(O)(OH) intermediate mimics enzymatic oxidations in the gas phase
published pages: , ISSN: 2041-1723, DOI: 10.1038/s41467-019-08668-2
Nature Communications 10/1 2020-03-05
2020 Mariarosa Anania, Lucie Jašíková, Jan Zelenka, Elena Shcherbachenko, Juraj Jašík, Jana Roithová
Monoaurated vs. diaurated intermediates: causality or independence?
published pages: 980-988, ISSN: 2041-6520, DOI: 10.1039/c9sc05662a
Chemical Science 11/4 2020-03-05
2019 Michal Straka, Erik Andris, Jan Vícha, Aleš Růžička, Jana Roithová, Lubomír Rulíšek
Spectroscopic and Computational Evidence of Intramolecular AuI⋅⋅⋅H+−N Hydrogen Bonding
published pages: , ISSN: 1433-7851, DOI: 10.1002/anie.201811982
Angewandte Chemie International Edition 2020-03-05
2017 Jiří Váňa, Jan Lang, Mária Šoltésová, Jiri Hanusek, Aleš Růžička, Miloš Sedlák, Jana Roithova
The Role of Trinuclear Species in Palladium Acetate/Trifluoroacetic Acid Catalytic System
published pages: 16269-16275, ISSN: 1477-9226, DOI: 10.1039/C7DT03832A
Dalton Transactions 46 2020-02-24
2017 Mireia Rovira, Lucie Jašíková, Erik Andris, Ferran Acuña-Parés, Marta Soler, Imma Güell, Ming-Zheng Wang, Laura Gómez, Josep M. Luis, Jana Roithová, Xavi Ribas
A Cu I /Cu III prototypical organometallic mechanism for the deactivation of an active pincer-like Cu I catalyst in Ullmann-type couplings
published pages: 8786-8789, ISSN: 1359-7345, DOI: 10.1039/c7cc04491g
Chem. Commun. 53/62 2020-02-24
2017 Gerard Sabenya, Laura Lázaro, Ilaria Gamba, Vlad Martin-Diaconescu, Erik Andris, Thomas Weyhermüller, Frank Neese, Jana Roithova, Eckhard Bill, Julio Lloret-Fillol, Miquel Costas
Generation, Spectroscopic, and Chemical Characterization of an Octahedral Iron(V)-Nitrido Species with a Neutral Ligand Platform
published pages: 9168-9177, ISSN: 0002-7863, DOI: 10.1021/jacs.7b00429
Journal of the American Chemical Society 139/27 2020-02-24
2017 Mariarosa Anania, Lucie Jašíková, Juraj Jašík, Jana Roithová
Why can a gold salt react as a base?
published pages: 7841-7852, ISSN: 1477-0520, DOI: 10.1039/C7OB01905J
Org. Biomol. Chem. 15/37 2020-02-24
2017 Ghazaleh Yassaghi, Erik Andris, Jana Roithová
Reactivity of Copper(III)-Oxo Complexes in the Gas Phase
published pages: 2217-2224, ISSN: 1439-4235, DOI: 10.1002/cphc.201700490
ChemPhysChem 18/16 2020-02-24
2018 Erik Andris, Prokopis C. Andrikopoulos, Jiří Schulz, Jan Turek, Aleš Růžička, Jana Roithová, Lubomír Rulíšek
Aurophilic Interactions in [(L)AuCl]...[(L′)AuCl] Dimers: Calibration by Experiment and Theory
published pages: 2316-2325, ISSN: 0002-7863, DOI: 10.1021/jacs.7b12509
Journal of the American Chemical Society 140/6 2020-02-24
2016 Dieter Gerlich, Juraj Jašík, Erik Andris, Rafael Navrátil, Jana Roithová
Collisions of FeO + with H 2 and He in a Cryogenic Ion Trap
published pages: 3723-3739, ISSN: 1439-4235, DOI: 10.1002/cphc.201600753
ChemPhysChem 17/22 2020-02-24
2018 Erik Andris, Rafael Navrátil, Juraj Jašík, Gerard Sabenya, Miquel Costas, Martin Srnec, Jana Roithová
Detection of Indistinct Fe−N Stretching Bands in Iron(V) Nitrides by Photodissociation Spectroscopy
published pages: 5078-5081, ISSN: 0947-6539, DOI: 10.1002/chem.201705307
Chemistry - A European Journal 24/20 2020-02-24
2017 Erik Andris, Rafael Navrátil, Juraj Jašík, Thibault Terencio, Martin Srnec, Miquel Costas, Jana Roithová
Chasing the Evasive Fe═O Stretch and the Spin State of the Iron(IV)–Oxo Complexes by Photodissociation Spectroscopy
published pages: 2757-2765, ISSN: 0002-7863, DOI: 10.1021/jacs.6b12291
Journal of the American Chemical Society 139/7 2020-02-24
2017 Andris, Erik; Navrátil, Rafael; Jašík, Juraj; Sabenya, Gerard; Costas, Miquel; Srnec, Martin; Roithová, Jana
Spin State-Controlled Photodissociation of Iron(III) Azide to Iron(V) Nitride Complex
published pages: , ISSN: 1521-3773, DOI: 10.5281/zenodo.1065276
Angewandte Chemie International 2 2020-02-24
2018 Dmitry V. Strelnikov, Juraj Jašík, Dieter Gerlich, Michihisa Murata, Yasujiro Murata, Koichi Komatsu, Jana Roithová
Near- and Mid-IR Gas-Phase Absorption Spectra of H 2 @C 60 + -He
published pages: 8162-8166, ISSN: 1089-5639, DOI: 10.1021/acs.jpca.8b06222
The Journal of Physical Chemistry A 122/41 2020-02-24
2018 Lucie Jašíková, Jana Roithová
Infrared Multiphoton Dissociation Spectroscopy with Free-Electron Lasers: On the Road from Small Molecules to Biomolecules
published pages: 3374-3390, ISSN: 0947-6539, DOI: 10.1002/chem.201705692
Chemistry - A European Journal 24/14 2020-02-24
2017 Jiří Váňa, Thibault Terencio, Vladimir Petrović, Orsolya Tischler, Zoltán Novák, Jana Roithová
Palladium-Catalyzed C–H Activation: Mass Spectrometric Approach to Reaction Kinetics in Solution
published pages: 2072-2080, ISSN: 0276-7333, DOI: 10.1021/acs.organomet.6b00960
Organometallics 36/11 2020-02-24

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