Mass Spectrometry of Isomeric Ions

Publications

Peer reviewed articles (27)

Closed Shell Iron(IV) Oxo Complex with an Fe-O Triple Bond: Computational Design, Synthesis, and Reactivity.

Author(s): Erik Andris; Erik Andris; Koen Segers; Jaya Mehara; Lubomír Rulíšek; Jana Roithová
Published in: Angewandte Chemie. International Edition, 59, 23137 - 23144, 10, 2020, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202009347

Identifying reactive intermediates by mass spectrometry

Author(s): Jaya Mehara; Jana Roithová
Published in: VOLUME=11;STARTPAGE=11960;ENDPAGE=11972;ISSN=2041-6520;TITLE=Chemical Science, 2, 2020, ISSN 2041-6520
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0sc04754f

Binding Interactions in Copper, Silver and Gold π-Complexes

Author(s): Jaya Mehara,Brandon T. Watson,Anurag Noonikara-Poyil,Adway O. Zacharias,Prof. Dr. Jana Roithová,Prof. H. V. Rasika Dias
Published in: CHEMISTRY-A EUROPEAN JOURNAL, 2022, ISSN 0947-6539
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/chem.202103984

Chemoselectivity in the Oxidation of Cycloalkenes with a Non-Heme Iron(IV)-Oxo-Chloride Complex: Epoxidation vs. Hydroxylation Selectivity

Author(s): Terencio, Thibault; Andris, Erik; Gamba, Ilaria; Srnec, Martin; Costas, Miquel; Roithová, Jana
Published in: urn:issn:1044-0305, 15, 2019, ISSN 1044-0305
Publisher: Elsevier BV
DOI: 10.1007/s13361-019-02251-1

Tracking Reaction Pathways by a Modular Flow Reactor Coupled to Electrospray Ionization Mass Spectrometry

Author(s): Guilherme L. Tripodi; Max T. G. M. Derks; Floris P. J. T. Rutjes; Jana Roithová
Published in: Chemistry Methods, 18, 2021, ISSN 2628-9725
Publisher: Wiley-VCH
DOI: 10.1002/cmtd.202100046

Tuning the H‐atom transfer reactivity of iron(IV)‐oxo complexes as probed by infrared photodissociation spectroscopy

Author(s): Guilherme L. Tripodi; Magda M. J. Dekker; Jana Roithová; Lawrence Que
Published in: Angewandte Chemie (International Ed. in English), 22, 2021, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202016695

A Cu I /Cu III prototypical organometallic mechanism for the deactivation of an active pincer-like Cu I catalyst in Ullmann-type couplings

Author(s): 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
Published in: Chem. Commun., 53/62, 2017, Page(s) 8786-8789, ISSN 1359-7345
Publisher: Royal Society of Chemistry
DOI: 10.1039/c7cc04491g

Why can a gold salt react as a base?

Author(s): Mariarosa Anania, Lucie Jašíková, Juraj Jašík, Jana Roithová
Published in: Org. Biomol. Chem., 15/37, 2017, Page(s) 7841-7852, ISSN 1477-0520
Publisher: Royal Society of Chemistry
DOI: 10.1039/C7OB01905J

The Role of Trinuclear Species in Palladium Acetate/Trifluoroacetic Acid Catalytic System

Author(s): Jiří Váňa, Jan Lang, Mária Šoltésová, Jiri Hanusek, Aleš Růžička, Miloš Sedlák, Jana Roithova
Published in: Dalton Transactions, 46, 2017, Page(s) 16269-16275, ISSN 1477-9226
Publisher: Royal Society of Chemistry
DOI: 10.1039/C7DT03832A

Spin State-Controlled Photodissociation of Iron(III) Azide to Iron(V) Nitride Complex

Author(s): Andris, Erik; Navrátil, Rafael; Jašík, Juraj; Sabenya, Gerard; Costas, Miquel; Srnec, Martin; Roithová, Jana
Published in: Angewandte Chemie International, 2, 2017, ISSN 1521-3773
Publisher: Wiley and Sons Verlag
DOI: 10.5281/zenodo.1065276

Chasing the Evasive Fe═O Stretch and the Spin State of the Iron(IV)–Oxo Complexes by Photodissociation Spectroscopy

Author(s): Erik Andris, Rafael Navrátil, Juraj Jašík, Thibault Terencio, Martin Srnec, Miquel Costas, Jana Roithová
Published in: Journal of the American Chemical Society, 139/7, 2017, Page(s) 2757-2765, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.6b12291

Infrared Multiphoton Dissociation Spectroscopy with Free-Electron Lasers: On the Road from Small Molecules to Biomolecules

Author(s): Lucie Jašíková, Jana Roithová
Published in: Chemistry - A European Journal, 24/14, 2018, Page(s) 3374-3390, ISSN 0947-6539
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/chem.201705692

Detection of Indistinct Fe−N Stretching Bands in Iron(V) Nitrides by Photodissociation Spectroscopy

Author(s): Erik Andris, Rafael Navrátil, Juraj Jašík, Gerard Sabenya, Miquel Costas, Martin Srnec, Jana Roithová
Published in: Chemistry - A European Journal, 24/20, 2018, Page(s) 5078-5081, ISSN 0947-6539
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/chem.201705307

Aurophilic Interactions in [(L)AuCl]...[(L′)AuCl] Dimers: Calibration by Experiment and Theory

Author(s): Erik Andris, Prokopis C. Andrikopoulos, Jiří Schulz, Jan Turek, Aleš Růžička, Jana Roithová, Lubomír Rulíšek
Published in: Journal of the American Chemical Society, 140/6, 2018, Page(s) 2316-2325, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.7b12509

Palladium-Catalyzed C–H Activation: Mass Spectrometric Approach to Reaction Kinetics in Solution

Author(s): Jiří Váňa, Thibault Terencio, Vladimir Petrović, Orsolya Tischler, Zoltán Novák, Jana Roithová
Published in: Organometallics, 36/11, 2017, Page(s) 2072-2080, ISSN 0276-7333
Publisher: American Chemical Society
DOI: 10.1021/acs.organomet.6b00960

Reactivity of Copper(III)-Oxo Complexes in the Gas Phase

Author(s): Ghazaleh Yassaghi, Erik Andris, Jana Roithová
Published in: ChemPhysChem, 18/16, 2017, Page(s) 2217-2224, ISSN 1439-4235
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/cphc.201700490

Generation, Spectroscopic, and Chemical Characterization of an Octahedral Iron(V)-Nitrido Species with a Neutral Ligand Platform

Author(s): Gerard Sabenya, Laura Lázaro, Ilaria Gamba, Vlad Martin-Diaconescu, Erik Andris, Thomas Weyhermüller, Frank Neese, Jana Roithova, Eckhard Bill, Julio Lloret-Fillol, Miquel Costas
Published in: Journal of the American Chemical Society, 139/27, 2017, Page(s) 9168-9177, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.7b00429

Near- and Mid-IR Gas-Phase Absorption Spectra of H 2 @C 60 + -He

Author(s): Dmitry V. Strelnikov, Juraj Jašík, Dieter Gerlich, Michihisa Murata, Yasujiro Murata, Koichi Komatsu, Jana Roithová
Published in: The Journal of Physical Chemistry A, 122/41, 2018, Page(s) 8162-8166, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.8b06222

Collisions of FeO + with H 2 and He in a Cryogenic Ion Trap

Author(s): Dieter Gerlich, Juraj Jašík, Erik Andris, Rafael Navrátil, Jana Roithová
Published in: ChemPhysChem, 17/22, 2016, Page(s) 3723-3739, ISSN 1439-4235
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/cphc.201600753

Monoaurated vs. diaurated intermediates: causality or independence?

Author(s): Mariarosa Anania, Lucie Jašíková, Jan Zelenka, Elena Shcherbachenko, Juraj Jašík, Jana Roithová
Published in: Chemical Science, 11/4, 2020, Page(s) 980-988, ISSN 2041-6520
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9sc05662a

Spectroscopic and Computational Evidence of Intramolecular AuI⋅⋅⋅H+−N Hydrogen Bonding

Author(s): Michal Straka, Erik Andris, Jan Vícha, Aleš Růžička, Jana Roithová, Lubomír Rulíšek
Published in: Angewandte Chemie International Edition, 2019, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201811982

Characterized cis-FeV(O)(OH) intermediate mimics enzymatic oxidations in the gas phase

Author(s): Margarida Borrell, Erik Andris, Rafael Navrátil, Jana Roithová, Miquel Costas
Published in: Nature Communications, 10/1, 2019, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-019-08668-2

Flavinium Catalysed Photooxidation: Detection and Characterization of Elusive Peroxyflavinium Intermediates

Author(s): Jan Zelenka, Radek Cibulka, Jana Roithová
Published in: Angewandte Chemie International Edition, 58/43, 2019, Page(s) 15412-15420, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201906293

M−O Bonding Beyond the Oxo Wall: Spectroscopy and Reactivity of Cobalt(III)-Oxyl and Cobalt(III)-Oxo Complexes

Author(s): Erik Andris, Rafael Navrátil, Juraj Jašík, Martin Srnec, Mònica Rodríguez, Miquel Costas, Jana Roithová
Published in: Angewandte Chemie International Edition, 58/28, 2019, Page(s) 9619-9624, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201904546

Spectroscopic Characterization of a Reactive [Cu2(μ-OH)2]2+ Intermediate in Cu/TEMPO Catalyzed Aerobic Alcohol Oxidation Reaction

Author(s): M. Sc. Katrin Warm,M. Sc. Guilherme Tripodi,Dr. Erik Andris,Dr. Stefan Mebs,Dr. Uwe Kuhlmann,Prof. Dr. Holger Dau,Prof. Dr. Peter Hildebrandt,Prof. Dr. Jana Roithová,Prof. Dr. Kallol Ray
Published in: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202108442

Mechanistic Investigation of Photochemical Reactions by Mass Spectrometry

Author(s): Jan Zelenka; Jana Roithová
Published in: urn:issn:1439-4227, 16, 2020, ISSN 1439-4227
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/cbic.202000072

Copper arylnitrene intermediates: formation, structure and reactivity

Author(s): Noël R. M. de Kler; Jana Roithová
Published in: Chemical Communications, 56, 12721 - 12724, 11, 2020, ISSN 1359-7345
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0cc05198e