6533b836fe1ef96bd12a158a

RESEARCH PRODUCT

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

Vincenzo Turco LiveriGianluca GiorgiLeopoldo Ceraulo

subject

chemistry.chemical_classificationChemistryElectrospray ionizationsurfactantInorganic chemistryIonic bondingHydrochloric acidMass spectrometryTandem mass spectrometryeven electron ruleDissociation (chemistry)chemistry.chemical_compoundsurfactants; electrospray; even electron rule; tandem mass spectrometry; theoretical calculationstandem mass spectrometryelectrospraySpectroscopyStoichiometryAlkyltheoretical calculationsSettore CHIM/02 - Chimica Fisica

description

Structure and properties of even-electron anionic species formed by bis(2-ethylhexyl)sulfosuccinate (AOT) and divalent metal ions (MII) with stoichiometry [AOTMIICl2]– 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 [C4HO6SMIICl]–• so produced have been characterized by MS3 experiments. Density functional theory calculations have been carried out for investigating structure and stability of the ionic species formed in the decomposition pathways. Copyright © 2012 John Wiley & Sons, Ltd.

10.1002/jms.3067http://hdl.handle.net/10447/79817