期刊
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
卷 435, 期 -, 页码 34-41出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.ijms.2018.10.016
关键词
Ion mobility; Non-covalent bonding; Gas-phase ion chemistry; Reaction mechanisms; Tandem mass spectrometry; Molecular dynamics; Quantum chemistry
资金
- European Commission / Region Wallonne (FEDER-BIORGEL project)
- Interuniversity Attraction Pole program of the Belgian Federal Science Policy Office [PAI 7/05]
- Programme d'Excellence de la Region Wallonne (OPTI2MAT project)
- Consortium des Equipements de Calcul Intensif (CECI)
- Fonds de la Recherche Scientifique de Belgique (F.R.S.-FNRS) [2.5020.11]
Recent studies point to an additional stability of metal-complexed functionalized hydrocarbon chains. This additional stabilization is suggested to arise from a bidentate complexation of the metal cation with both the functional group and aliphatic chain, leading to more folded structures. In the present work, this issue is verified for silver complexed alkylamines by tandem mass spectrometry and ion mobility experiments combined with quantum-chemical calculations. Upon increasing the length of the hydrocarbon chains, the alkylamine/silver complexes undergo a structural transition to reach a folded structure in which the silver cation interacts with both the amine group and hydrogen atoms located at the chain end. This folding is further examined by monitoring the loss of AgH upon collision-induced dissociation experiments performed on alkylamines with different chain lengths. Ion mobility experiments performed on the fragment ions indicate that the removal of the silver cation induces the unfolding of the chain. (C) 2018 Elsevier B.V. All rights reserved.
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