title: Characterization of gas phase aggregates of bis(2-ethylhexyl)sulfosuccinate (AOT) and divalent metal ions. Elimination of radical species in the decomposition pathways of even-electron [AOTMIICl2]- anions.
abstract: Structure and properties of even-electron anionic species formed by bis(2-ethylhexyl)sulfosuccinate (AOT) and divalent metal ions (M(II)) with stoichiometry [AOTM(II)Cl(2)](-) have been investigated by using electrospray ionization and different mass spectrometry techniques, such as high resolution, accurate mass measurements, collision-induced dissociation (CID) multiple-stage mass spectrometry. Owing to CID, eliminations of neutrals, mainly consisting in hydrochloric acid, 2-ethyl-1-hexene and 2-ethylhexanol, and an unexpected loss of an alkyl radical have been observed. The radical anions [C(4)HO(6)SM(II)Cl](-•) so produced have been characterized by MS(3) experiments. Density functional theory calculations have been carried out for investigating structure and stability of the ionic species formed in the decomposition pathways.
authors.affiliation: Dipartimento di Chimica, Università degli Studi di Siena, Via Aldo Moro, I-53100, Siena, Italy. gianluca.giorgi@unisi.it.
authors.forename: Gianluca
authors.initials: G
authors.lastname: Giorgi
authors.forename: Leopoldo
authors.initials: L
authors.lastname: Ceraulo
authors.forename: Vincenzo Turco
authors.initials: VT
authors.lastname: Liveri