Journal article

Do alkali and alkaline earth acetates form organometallates via decarboxylation? A survey using electrospray ionization tandem mass spectrometry and DFT calculations

Anne P Jacob, Patrick F James, Richard AJ O'Hair

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY | ELSEVIER SCIENCE BV | Published : 2006

Abstract

Multistage mass spectrometry experiments combined with density functional theory (DFT) calculations were used to examine whether the alkali and alkaline earth acetate ions [Metal(O2CCH3)n]-, formed via electrospray ionization, fragment under collision-induced dissociation conditions to yield the organometallic ions [CH3Metal(O2CCH3)n - 1]-. The alkali earth acetate ions [Metal(O2CCH3)2]- (Metal = lithium, sodium, potassium, rubidium and caesium) all fragment via loss of the acetate anion, with virtually no formation of the organometallate. In contrast, the alkaline earth acetate ions [Metal(O2CCH3)3]- (Metal = magnesium, calcium, strontium and barium) not only fragment via loss of the acetat..

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University of Melbourne Researchers