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• W2110984265 abstract "Systematic experimental and theoretical studies on anionic phosphate species in the gas phase are almost nonexistent, even though they could provide a benchmark for enhanced comprehension of their liquid-phase chemical behavior. Gaseous MH(2)P(2)O(7) (-) ions (M=Li, Na, K, Rb, Cs), obtained from electrospray ionization of solutions containing H(4)P(2)O(7) and MOH or M salts as a source of M(+) ions were structurally assayed by collisionally activated dissociation (CAD) mass spectrometry and theoretical calculations at the B3LYP/6-31+G* level of theory. The joint application of mass spectrometric techniques and theoretical methods allowed the MH(2)P(2)O(7) (-) ions to be identified as having a structure in which the linear diphosphate anion is coordinated to the M(+) ion (I) and provides information on gas-phase isomerization processes in the [PO(3)...MH(2)PO(4)](-) clusters II and the [P(2)O(6)...M...H(2)O](-) clusters IV. Studies of gas-phase reactivity by Fourier transform ion cyclotron resonance (FTICR) and triple quadrupole (TQ) mass spectrometry revealed that the MH(2)P(2)O(7) (-) ions react with selected nucleophiles by clustering, proton transfer and addition-elimination mechanisms. The influence of the coordination of alkali metal ions on the chemical behavior of pyrophosphate is discussed." @default.
• W2110984265 created "2016-06-24" @default.
• W2110984265 creator A5071062839 @default.
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• W2110984265 date "2006-03-20" @default.
• W2110984265 modified "2023-09-27" @default.
• W2110984265 title "Effect of Alkali Metal Coordination on Gas-Phase Chemistry of the Diphosphate Ion: The MH2P2O7− Ions" @default.
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• W2110984265 doi "https://doi.org/10.1002/chem.200500723" @default.
• W2110984265 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16416491" @default.
• W2110984265 hasPublicationYear "2006" @default.
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