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Walrafen, G. E.; Yang, Wenshu; Chu, Y. C.; Hokmabadi, M. S.

doi:10.1023/a:1005134717259

Cited by 36 publications

(51 citation statements)

References 22 publications

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“…Myhre et al [29] and Knopf et al [30] 1,019 ν s -SO 3 (OH) -, Solid NH 4 HSO 4 Degen and Newman [31] 1,027 This work, Nash and Sully, [32] and Walrafen et al [33] 1,041 ν s -SO 3 (OH) − , Solid NaHSO 4 Degen and Newman [31] 1,043 Myhre et al [29] and Knopf et al [30] 2,878 Second overtone of NH 4 + umbrella bending Zou et al [34] 3,150 ν as NH 4 + Zou et al [34] 3,472 OH stretch in water Kitadai et al [35] F I G U R E 2 peaks are also indicative of the modes with related origin. For example, the positive cross-peaks suggest the peak intensities at the two positions change in same direction; however, the phenomenon is opposite for negative crosspeaks.…”

Section: −mentioning

confidence: 76%

Dissociation and microsolvation of bisulfate anion

Ashraf

Cheng

Zhang

2020

J Raman Spectroscopy

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Bisulfate anion has vast applications in industrial and environmental chemistry. Its dissociation to sulfate anion has been studied computationally and by size-selected clusters. In this study, Micro-Raman spectroscopy is applied at different relative humidity (RH)% on small droplets of aqueous solutions of NaHSO 4 , NH 4 HSO 4 , and H 2 SO 4 to explore the dissociation of HSO 4 experimentally in bulk and supersaturated state. Our cumulative experimental results support the conclusion obtained from gas-phase cluster study that HSO 4 starts dissociating at very low number of water molecules (H 2 O~1). However, dissociation of HSO 4 is found dependent on the cation attached with this weak acid. The magnitude of dissociation is found as NH 4 HSO 4 ≈ H 2 SO 4 > NaHSO 4 . In addition, studying the hydration process of HSO 4 − in the presence of three different cations enabled us to observe various species in three systems. Theoretical values obtained from extended aerosol inorganic model supports the experimental results. K E Y W O R D S dissociation, Raman spectroscopy, E-AIM

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Section: −mentioning

confidence: 76%

Dissociation and microsolvation of bisulfate anion

Ashraf

Cheng

Zhang

2020

J Raman Spectroscopy

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“…By investigating IR and Raman scattering spectra, attenuated total reflectance spectra, and X‐ray analysis of sulfuric acid solutions, the involvement of the following particles in equilibrium processes was confirmed: H 2 SO 4 , HSO 4 − , SO 4 2− , H 3 O + , and H 3 O + ·H 2 SO 4 . The most complete and correct analysis of the ionic composition of H 2 SO 4 solutions, which includes specifications of the equilibria and formulae for calculating particle concentrations, is provided in Walrafen et al and Librovich and Mayorov . The reliable and comprehensive data have not lost their significance as well.…”

Section: Proton Aciditymentioning

confidence: 93%

“…The first stage of dissociation (H 2 SO 4 = H + + HSO 4 − ) is completed at a concentration of approximately 40 m and 298 K. A large number of studies are devoted to the experimental determination, calculation, and discussion of the second stage, ie, the dissociation of the bisulfate‐anion . The concentration of this particle increases with the increase of the stoichiometric concentration of Н 2 SO 4 and reaches its maximum value at 13.6 mol/L Н 2 SO 4 (41.7 mol%) (14.05 mol/L). Then, it sharply decreases down to 0 in 100% Н 2 SO 4 .…”

Section: Proton Aciditymentioning

confidence: 99%

Solvated proton as the main reagent and a catalyst in the single-stage aromatic sulfonation and protodesulfonation of sulfonic acids

2017

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This review is devoted to the critical analysis of the existing contradictory ideas about kinetic description and the mechanisms of electrophilic aromatic substitution (EAS), ie, reversible arene sulfonation and hydrolysis (protodesulfonation) of arenesulfonic acids. Contemporary scientific and educational literature contains prevailing, widespread points of view on the multistage nature processes of the EAS that proceed via πand σ-complexes and are accompanied by arenium ion formation. This interpretation does not account for determining influence of the medium, and the process accompanies the loss of aromaticity. The review presents an alternative point of view: These processes proceed via singlestage and the same transition state. To substantiate this position, we reviewed in detail the contemporary ideas on the solvated proton structure, the limits of applicability of acidity function Н о and excess acidity Х scales, and the experimental solubility data of arenesulfonic acid hydrates in sulfuric acid. This solubility depends on the medium acidity (h o ), which provides the formation of 3 conjugated types of hydrates: anionic (АrSO 3 − ·H 2 O), hydroxonium-arene sulfonated (АrSO 3 − ·H 3 O + ), and the hydroxonium complex with the H-form of АrSO 3 Н·H 3 O + acid. In sulfuric acid solutions with an excess of water, irreversible hydrolysis proceeds with the participation of ArSO 3 − ·H 3 O + . However, protodesulfonation becomes reversible and proceeds with the participation of ArSO 3 Н·H 3 O + in solutions with an excess of sulfuric acid. A conclusion has been made about determining the role of the hydrated proton environment by means the formation of a cyclic transition state. An alternative 2-stage mechanism of EAS is logically and energetically unsubstantiated and, therefore, should be rejected.

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“…However, the conductivity of the electrolyte which is mainly sulfuric acid varies depending on the concentration of the solution itself. The conductivity of the electrolyte is defined from the previous literature [18].…”

Section: Numerical Simulationmentioning

confidence: 99%