Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride

0492267 - ÚFCH JH 2019 RIV DE eng J - Journal Article
Langer, J. - Zawadzki, Mateusz - Fárník, Michal - Pinkas, Jiří - Fedor, Juraj - Kočišek, Jaroslav
Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride.
European Physical Journal D. Roč. 72, č. 6 (2018), č. článku 112. ISSN 1434-6060. E-ISSN 1434-6079
R&D Projects: GA ČR GJ16-10995Y
Institutional support: RVO:61388955
Keywords : electron interactions * ionization cross sections * DNA
OECD category: Physical chemistry
Impact factor: 1.331, year: 2018

We present a combined experimental and theoretical study of the interaction of electrons with Bis(pentamethylcyclopentadienyl)titanium(IV) dichloride (Cp2*TiCl2) and difluoride (Cp2*TiF2). We report the experimental measurements of partial cross sections for the dissociative electron attachment (DEA) and the electron ionization (EI) mass spectra of isolated molecules. Estimates of the absolute cross sections are done on the basis of cross-calibration in the case of DEA and on the basis of binary-encounter-Bethe calculation in the case of EI. EI of both molecules is similar, concerning cross section amplitude and fragmentation pattern. DEA is different: DEA to Cp2*TiF2primarily results in the formation of stable parent anion, while DEA to Cp2*TiCl2results in the strong fragmentation, primarily into Cl−anion. Possible use of the molecules as the model species for studies of DEA efficiency in postirradiation chemistry is discussed. Graphical abstract: [Figure not available: see fulltext.].
Permanent Link: http://hdl.handle.net/11104/0285797