Gas Phase Reactivity of [Mo6X14]2-Dianions (X = Cl I)

0567608 - ÚACH 2024 RIV US eng J - Journal Article
Su, P. - Warneke, Z. - Volke, D. - Espenship, M. F. - Hu, H. - Kawa, S. - Kirakci, Kaplan - Hoffmann, R. - Laskin, J. - Wiebeler, C. - Warneke, J.
Gas Phase Reactivity of [Mo6X14]2-Dianions (X = Cl I).
Journal of the American Society for Mass Spectrometry. Roč. 34, č. 2 (2023), s. 161-170. ISSN 1044-0305. E-ISSN 1879-1123
R&D Projects: GA ČR(CZ) GC21-16084J
Institutional support: RVO:61388980
Keywords : Adducts * Collisions * Fragmentation * Ions
OECD category: Inorganic and nuclear chemistry
Impact factor: 3.2, year: 2022
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/jasms.2c00243

We investigate collision-induced dissociation (CID) of [Mo6X14]2- (X = Cl, Br, I) and the reactivity of fragment ions of these precursors with background gases. Ion mobility measurements and theoretical calculations provide structural information for some of the observed ions. Sequential losses of MoX2 units dominate the dissociation pathways of [Mo6Cl14]2-. Meanwhile, loss of X radicals is the main channel for X = Br and I. Ion mobility measurements and computational investigations indicate minor structural changes in the octahedral Mo6 unit for [Mo6Im]- (m = 6-13) fragments. We observe that mass spectra obtained using CID substantially vary among mass spectrometers: Specifically, ions with molecular formula [Mo6Xm(O2)n]- (X = Br and I) are observed as dominant species produced through reactions with O2 in several mass spectrometers, but also adduct free fragment ions were observed in other instruments, depending on the background conditions. Ion-trap fragmentation combined with theoretical investigations indicates that spontaneous losses of X radicals occur upon binding of O2 to [Mo6Im]- fragments (m ≤ 12). Theoretical investigations indicate that both oxygen atoms are bound to the vacant sites of the Mo6 units. This study opens up a new vista to generate and study a large variety of hexanuclear Mo6Xm(O2)n anions.
Permanent Link: https://hdl.handle.net/11104/0339400


Research data: ACS Publications