Surface‐activated chemical ionization versus electrospray ionization in the study of selected aluminium(III)/ligand solution equilibria

Marco, Valerio Di; Ranaldo, Martina; Bombi, G. Giorgio; Traldi, Pietro

doi:10.1002/rcm.2354

Cited by 8 publications

(5 citation statements)

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“…The adduct made up of two deprotonated ligands attached to the metal cation dominated the spectra of isomer 1 (Figure 1), whereas only the peak arising from the protonated molecule was observed for isomer 2. An analogous of the former adduct [M + 2 L -2 H] + has been reported previously in ESI mass spectra of solutions of aluminum (III) with 2,3-dihydroxypyridine as ligand [20].…”

Section: Mass Spectrometry Studysupporting

confidence: 73%

Differentiation of Isomeric HydroxypyridineN-Oxides Using Metal Complexation and Electrospray Ionization Mass Spectrometry

Butler

Máñez

Cabrera

2011

J. Am. Soc. Mass Spectrom.

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Differentiation between two isomers of hydroxypyridine N-oxide according to the metal cation adducts generated by electrospray ionization (ESI) was investigated for different metal cations, namely Mg (II), Al (III), Ca (II), Sc (III), Fe (III), Co (II), Ni (II), Cu (II), Zn (II), Ga (III), besides the diatomic cation VO(IV). Protonated molecules of the isomeric hydroxypyridine N-oxides as well as the singly/doubly charged adducts formed from neutral or deprotonated ligands and a doubly/ triply charged cation were produced in the gas phase using ESI, recording mass spectra with different metal ions for each isomer. While complex formation was successful for 2-hydroxypyridine N-oxide with trivalent ions, in the case of 3-hydroxypyridine N-oxide, only peaks related to the protonated molecule were present. On the other hand, divalent cations formed specific species for each isomer, giving characteristic spectra in every case. Hence, differentiation was possible irrespective of the metal cation utilized. In addition, quantum chemical calculations at the B3LYP/6-31+G(d,p) level of theory were performed in order to gain insight into the different complexation of calcium(II) with the isomers of hydroxypyridine N-oxide. The relative stability in the gas phase of the neutral complexes of calcium made up of two ligands, as well as the singly charged and doubly charged complexes, was investigated. The results of these calculations improved the understanding of the differences observed in the mass spectra obtained for each isomer.

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Section: Mass Spectrometry Studysupporting

confidence: 73%

Differentiation of Isomeric HydroxypyridineN-Oxides Using Metal Complexation and Electrospray Ionization Mass Spectrometry

Butler

Máñez

Cabrera

2011

J. Am. Soc. Mass Spectrom.

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“…However, metal-complexes usually loose their inner-sphere water during the ionization process. [34,35] Remarkable exceptions could be the Al 2 HL 2 ðH 2 OÞ þ 2 and Al 2 HL 2 (H 2 O) + complexes found in this study, although the second one could also be the partially de-solvated fragment of the first. Moreover, the Al 2 HL 2 ðH 2 OÞ þ 2 formula could also be derived in an other way, since a dihydroxo bridged dimer has the formula of Al 2 H 3 L 2 ðOHÞ 2 ðH 2 OÞ þ 2 (see also DFT calculations below).…”

Section: Electro-spray Ionization Mass Spectrometrymentioning

confidence: 66%

Glyphosate complexation to aluminium(III). An equilibrium and structural study in solution using potentiometry, multinuclear NMR, ATR–FTIR, ESI-MS and DFT calculations

Purgel

Takács

Jonsson

et al. 2009

Journal of Inorganic Biochemistry

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“…ESI‐MS spectra of Al(III)–L solutions have been obtained previously18, 19 and they have been interpreted on the basis of their m / z values and of MS n . Figure 2 shows some typical ESI‐MS spectra.…”

Section: Resultsmentioning

confidence: 99%

Metal–ligand solution equilibria studied by electrospray ionization mass spectrometry: effect of instrumental parameters

et al. 2008

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Electrospray ionization mass spectrometry (ESI-MS) is being increasingly employed in the study of metal-ligand equilibria in aqueous solution. In the present work, the ESI-MS spectral changes due to different settings of the following instrumental parameters are analyzed: the solution flow rate (F(S)), the nebulizer gas flow rate (F(G)), the sprayer potential (E), and the temperature of the entrance capillary (T). Twenty-eight spectra were obtained for each of six samples containing aluminum(III) and 2,3-dihydroxypyridine at various pH, in the absence or in the presence of a buffer and of sodium ions. Among the considered instrumental parameters, T produced the largest effects on the ionic intensities. F(S) and F(G) affected the ESI-MS spectra to a lower extent than T. In the investigated conditions E had the weakest effects on the spectra.The correlations observed between the ionic intensities and these instrumental parameters were interpreted considering the presence of three kinds of perturbations occurring in the ESI-MS ion source: formation of some dimers in the droplets, different transfer efficiencies from the droplets to the gas phase for different complexes (according to their surface activity), and subsequent partial thermal decomposition of the dimers and of one of the monomeric complexes in the gas phase. Our results show that the evaluation of the effects produced in the ESI-MS spectra by a change of instrumental parameters can allow to identify the perturbations occurring when metal-ligand solutions are studied by ESI-MS.

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Surface‐activated chemical ionization versus electrospray ionization in the study of selected aluminium(III)/ligand solution equilibria

Abstract: SACI-MS and ESI-MS are compared in the study of the solution chemistry of aluminioum(III)+2,3-dihydroxypyridine aqueous-methanol solutions. SACI-MS and ESI-MS gave comparable spectra, but the latter technique appears more convenient for solution chemistry studie

Cited by 8 publications

References 8 publications

Differentiation of Isomeric HydroxypyridineN-Oxides Using Metal Complexation and Electrospray Ionization Mass Spectrometry

Differentiation of Isomeric HydroxypyridineN-Oxides Using Metal Complexation and Electrospray Ionization Mass Spectrometry

Glyphosate complexation to aluminium(III). An equilibrium and structural study in solution using potentiometry, multinuclear NMR, ATR–FTIR, ESI-MS and DFT calculations

Metal–ligand solution equilibria studied by electrospray ionization mass spectrometry: effect of instrumental parameters

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