Differentiation of aminomethyl corrole isomers by mass spectrometry.
Two new isomeric aminomethyl corrole derivatives of [5,10,15-tris(pentafluorophenyl)corrolato]gallium(III) were synthesized with pyridine (py) molecules as axial ligands. When investigated by electrospray ionization mass spectrometry, in the positive and the negative ion modes, these compounds showed an unusual gas-phase behavior that could be used for their differentiation. In the positive ion mode, the differentiation was achieved through the formation of diagnostic fragment ions formed from [M-py + H](+) precursors, by (CH(3) )(2) NH and HF losses. An unusual addition of water to the main fragment ions provides an alternative route for isomer identification. Semi-empirical calculations were performed to elucidate the structures and stabilities of the main ionic species formed in the positive ion mode. In the negative ion mode isomer discrimination is accomplished via the fragmentation of the methoxide adduct ions [M-py + CH(3) O](-) through (CH(3) )(2)  N(.) and HF losses.
QOPNA - Mass Spectrometry Laboratory Department of Chemistry, University of Aveiro, Campus de Santiago, 3810-193, Aveiro, Portugal.
Catarina I V
CI
Ramos
M Graça
MG
Santana-Marques
A J
AJ
Ferrer-Correia
Joana F B
JF
Barata
Augusto C
AC
Tomé
M Graça P M S
MG
Neves
J A S
JA
Cavaleiro
Paulo E
PE
Abreu
Mariette M
MM
Pereira
Alberto A C C
AA
Pais