Elucidation of Aluminum−Fulvic Acid Interactions by Gas-Phase Hydrogen/Deuterium (H/D) Exchange and Electrospray Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (ESI FT-ICR)

2000 ◽  
Vol 34 (13) ◽  
pp. 2830-2838 ◽  
Author(s):  
A. Alomary ◽  
T. Solouki ◽  
H. H. Patterson ◽  
C. S. Cronan
2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Angelica Bianco ◽  
Laurent Deguillaume ◽  
Nadine Chaumerliac ◽  
Mickaël Vaïtilingom ◽  
Miao Wang ◽  
...  

An amendment to this paper has been published and can be accessed via a link at the top of the paper.


2001 ◽  
Vol 79 (5-6) ◽  
pp. 546-551 ◽  
Author(s):  
Ryan P Rodgers ◽  
Christopher L Hendrickson ◽  
Mark R Emmett ◽  
Alan G Marshall ◽  
Mark Greaney ◽  
...  

Petroporphyrin compositional analysis of a heavy crude oil has been realized by isolation and subsequent ESI-FT-ICR mass spectrometric analysis of the porphyrin-containing fractions. Vanadium octaethyl (V=O(II)OEP) and nickel octaethyl (Ni(II)OEP) porphyrin standards were analyzed to determine favorable electrospray ionization conditions and provide insight as to the molecular species present (e.g., adducts, multimers). Standard V=O(II)OEP and Ni(II)OEP solutions revealed the presence of both monomer and dimer species with a greater relative abundance of monomers. In contrast, mass spectral analysis of a porphyrin fraction from Cerro Negro crude oil was dominated by dimeric species. MS3 analysis identified a dioctylphthalate (DOP) contaminant, likely introduced during fractionation of the crude oil. DOP-porphyrin complexes and porphyrin-porphyrin dimers were then identified. Infrared multiphoton dissociation (IRMPD) of dimeric species produced the corresponding monomers with minimal fragmentation. The monomeric petroporphyrins were analyzed to reveal the metal (Ni(II) or V=O(II)), porphyrin type (e.g., etio vs. DPEP), and distribution of alkylation.Key words: petroporphyrin, porphyrin, petroleum, electrospray ionization, mass spectrometry, Fourier transform, ion cyclotron resonance, ICR, FT-ICR, FTMS.


2002 ◽  
Vol 8 (5) ◽  
pp. 359-366 ◽  
Author(s):  
Masaaki Mishima ◽  
Tomomi Kinoshita ◽  
Yoshitaka Hattori ◽  
Ken'ichi Takeuchi

The gas-phase acidities of 7-alkyl substituted cycloheptatrienes have been determined by Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry using a proton-transfer equilibrium method, Δ G0acid (kJ mol−1): methyl 1520.0, ethyl 1516.7, n-propyl acid 1513.3, i-propyl 1512.1, n-butyl 1510.4. The effect of alkyl groups on the acidity of cycloheptatriene is linearly correlated with the polarizability parameters ( σα) of substituents, giving a ρα of–55.3 (kJ σ−1α unit). The magnitude of pa is half of that for RCH3 and is significantly larger than that for the fluorene series. These results suggest that the extent of the charge-delocalization in a carbanion plays an important role in determining the susceptibility of the stability of the carbanion to substituent polarizability effects. In addition, comparison of ρ values of acidities of a series of elemental hydrides shows that the numerical value of ρα decreases in the order, C > O ≈ N > S, and that the change of ρα is related to the stability of the respective parent anions (R = H) rather than the atomic electronegativity at the deprotonation center.


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