Fragmentation of deprotonated nitrophenol anions

Pruitt, Carrie Jo M.; Benham, Kevin; Bandyopadhyay, Biswajit; Goebbert, Daniel J.

doi:10.1016/j.cplett.2014.09.038

Cited by 7 publications

(11 citation statements)

References 26 publications

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“…The calculated energy difference for the loss of NO 3 – is 1.99 eV whereas the energy difference for the loss of NO 2 • is 2.23 eV. Calculated energy differences are greater than the experimental appearance energies, about 1.3 eV for both ions, Figure a, because the internal energy of Al(NO 3 ) 4 – from electrospray ionization reduces the energy required for fragmentation. ,,, The elimination of NO 3 – yields an undetectable neutral aluminum complex, this this reaction is ignored in the following discussion. The O 2 N–O – bond energy of the isolated nitrate ion is 4.69 eV .…”

Section: Resultsmentioning

confidence: 90%

“…We have successfully used this approach to study the fragmentation of several ions. 14,15,21,22 2.3. Theoretical Calculations.…”

Section: Experimental Methodsmentioning

confidence: 99%

“…− from electrospray ionization reduces the energy required for fragmentation. 14,15,21,28 The elimination of NO 3…”

Section: Experimental Methodsmentioning

confidence: 99%

“…Appearance energies were determined by extrapolation of the linearly increasing portion of the curves to the energy-axis intercept. Absolute dissociation energies were not modeled from the ERMS − measurements because the internal energy of the precursor ion is unknown, the ion kinetic energy distribution is relatively broad, and a small fraction of ions undergo multiple collisions or collisions outside the collision cell resulting in broad low intensity signal in the threshold region. , Relative appearance energies remain useful for analyzing and interpreting dissociation dynamics and for comparison with theoretical calculations. We have successfully used this approach to study the fragmentation of several ions. ,,, …”

Section: Experimental Methodsmentioning

confidence: 99%

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Gas-Phase Fragmentation of Aluminum Oxide Nitrate Anions Driven by Reactive Oxygen Radical Ligands

et al. 2016

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Gas-phase metal nitrate anions are known to yield a variety of interesting metal oxides upon fragmentation. The aluminum nitrate anion complexes, Al(NO3)4(-) and AlO(NO3)3(-) were generated by electrospray ionization and studied with collision-induced dissociation and energy-resolved mass spectrometry. Four different decomposition processes were observed, the loss of NO3(-), NO3(•), NO2(•), and O2. The oxygen radical ligand in AlO(NO3)3(-) is highly reactive and drives the formation of AlO(NO3)2(-) upon loss of NO3(•), AlO2(NO3)2(-) upon NO2(•) loss, or Al(NO2)(NO3)2(-) upon abstraction of an oxygen atom from a neighboring nitrate ligand followed by loss of O2. The AlO2(NO3)2(-) fragment also undergoes elimination of O2. The mechanism for O2 elimination requires oxygen atom abstraction from a nitrate ligand in both AlO(NO3)3(-) and AlO2(NO3)2(-), revealing the hidden complexity in the fragmentation of these clusters.

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Section: Resultsmentioning

confidence: 90%

“…We have successfully used this approach to study the fragmentation of several ions. 14,15,21,22 2.3. Theoretical Calculations.…”

Section: Experimental Methodsmentioning

confidence: 99%

“…− from electrospray ionization reduces the energy required for fragmentation. 14,15,21,28 The elimination of NO 3…”

Section: Experimental Methodsmentioning

confidence: 99%

Section: Experimental Methodsmentioning

confidence: 99%

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Gas-Phase Fragmentation of Aluminum Oxide Nitrate Anions Driven by Reactive Oxygen Radical Ligands

et al. 2016

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“…Interpretation relies on comparisons between relative appearance energies and trends with theoretical results; we have successfully used this approach to study the fragmentation of several ions. 23,31,32 2.3. Theoretical Calculations.…”

Section: Experimental Methodsmentioning

confidence: 99%

Fragmentation of [Ni(NO₃)₃]⁻: A Study of Nickel–Oxygen Bonding and Oxidation States in Nickel Oxide Fragments

et al. 2016

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Gas-phase nickel nitrate anions are known to produce nickel oxide nitrate anions, [NiOx(NO3)y](-) upon fragmentation. The goal of this study was to investigate the properties of nickel oxide nitrate complexes generated by electrospray ionization using a tandem quadrupole mass spectrometer and theoretical calculations. The [Ni(NO3)3](-) ion undergoes sequential NO2(•) elimination to yield [NiO(NO3)2](-) and [NiO2(NO3)](-), followed by elimination of O2. The electronic structure of the nickel oxide core influences decomposition. Calculations indicate electron density from oxygen is delocalized onto the metal, yielding a partially oxidized oxygen in [NiO(NO3)2](-). Theoretical studies suggest the mechanism for O2 elimination from [NiO2(NO3)](-) involves oxygen atom transfer from a nitrate ligand to yield an intermediate, [NiO(O2)(NO2)](-), containing an oxygen radical anion ligand, O(•-), a superoxide ligand, O2(•-), and a nitrite ligand bound to Ni(2+). Electron transfer from superoxide partially reduces both the metal and oxygen and yields the energetically favored [NiO(NO2)](-) + O2 products.

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High stability tetradentate ligand copper complexes and organic small molecule hybrid electrolyte for dye-sensitized solar cells

Yang

Deng

et al. 2022

Electrochimica Acta

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Fragmentation of deprotonated nitrophenol anions

Cited by 7 publications

References 26 publications

Gas-Phase Fragmentation of Aluminum Oxide Nitrate Anions Driven by Reactive Oxygen Radical Ligands

Gas-Phase Fragmentation of Aluminum Oxide Nitrate Anions Driven by Reactive Oxygen Radical Ligands

Fragmentation of [Ni(NO₃)₃]⁻: A Study of Nickel–Oxygen Bonding and Oxidation States in Nickel Oxide Fragments

High stability tetradentate ligand copper complexes and organic small molecule hybrid electrolyte for dye-sensitized solar cells

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Fragmentation of deprotonated nitrophenol anions

Cited by 7 publications

References 26 publications

Gas-Phase Fragmentation of Aluminum Oxide Nitrate Anions Driven by Reactive Oxygen Radical Ligands

Gas-Phase Fragmentation of Aluminum Oxide Nitrate Anions Driven by Reactive Oxygen Radical Ligands

Fragmentation of [Ni(NO3)3]−: A Study of Nickel–Oxygen Bonding and Oxidation States in Nickel Oxide Fragments

High stability tetradentate ligand copper complexes and organic small molecule hybrid electrolyte for dye-sensitized solar cells

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Fragmentation of [Ni(NO₃)₃]⁻: A Study of Nickel–Oxygen Bonding and Oxidation States in Nickel Oxide Fragments