scholarly journals Vibrational Spectroscopy of Bisulfate/Sulfuric Acid/Water Clusters: Structure, Stability, and Infrared Multiple-Photon Dissociation Intensities

2013 ◽  
Vol 117 (32) ◽  
pp. 7081-7090 ◽  
Author(s):  
Tara I. Yacovitch ◽  
Nadja Heine ◽  
Claudia Brieger ◽  
Torsten Wende ◽  
Christian Hock ◽  
...  
Keyword(s):  
Sulfuric Acid ◽  
Vibrational Spectroscopy ◽  
Water Clusters ◽  
Acid Water ◽  
Structure Stability ◽  
Infrared Multiple Photon Dissociation

Structure of Sulfuric Acid–Water Clusters

2007 ◽  
pp. 214-217
Author(s):  
Martta Salonen ◽  
Ismo Napari ◽  
Hanna Vehkamäki
Keyword(s):  
Sulfuric Acid ◽  
Water Clusters ◽  
Acid Water

Properties and Atmospheric Implication of Methylamine–Sulfuric Acid–Water Clusters

2015 ◽  
Vol 119 (32) ◽  
pp. 8657-8666 ◽  
Author(s):  
Sha-Sha Lv ◽  
Shou-Kui Miao ◽  
Yan Ma ◽  
Miao-Miao Zhang ◽  
Yang Wen ◽  
...  
Keyword(s):  
Sulfuric Acid ◽  
Water Clusters ◽  
Acid Water

Trimethylamine/Sulfuric Acid/Water Clusters: A Matrix Isolation Infrared Study

2014 ◽  
Vol 118 (6) ◽  
pp. 1004-1011 ◽  
Author(s):  
Mark Rozenberg ◽  
Aharon Loewenschuss ◽  
Claus J. Nielsen
Keyword(s):  
Sulfuric Acid ◽  
Water Clusters ◽  
Matrix Isolation ◽  
Acid Water ◽  
Infrared Study

Reliable potential for small sulfuric acid–water clusters

2003 ◽  
Vol 287 (1-2) ◽  
pp. 7-19 ◽  
Author(s):  
Chang-Geng Ding ◽  
Tuulia Taskila ◽  
Kari Laasonen ◽  
Ari Laaksonen
Keyword(s):  
Sulfuric Acid ◽  
Water Clusters ◽  
Acid Water

Quantum chemical studies on peroxodisulfuric acid–sulfuric acid–water clusters

2011 ◽  
Vol 967 (2-3) ◽  
pp. 219-225
Author(s):  
Martta Toivola ◽  
Theo Kurtén ◽  
Ismael K. Ortega ◽  
Markku Sundberg ◽  
Ville Loukonen ◽  
...  
Keyword(s):  
Sulfuric Acid ◽  
Quantum Chemical ◽  
Water Clusters ◽  
Acid Water ◽  
Chemical Studies ◽  
Quantum Chemical Studies

scholarly journals Electron-induced chemistry in microhydrated sulfuric acid clusters

2017 ◽  
Vol 17 (22) ◽  
pp. 14171-14180 ◽  
Author(s):  
Jozef Lengyel ◽  
Andriy Pysanenko ◽  
Michal Fárník
Keyword(s):  
Sulfuric Acid ◽  
Density Functional ◽  
Water Clusters ◽  
Electron Attachment ◽  
Negative Ions ◽  
Ion Pair ◽  
Acid Water ◽  
Negative Ion ◽  
Water Molecules ◽  
Beam Experiment

Abstract. We investigate the mixed sulfuric acid–water clusters in a molecular beam experiment with electron attachment and negative ion mass spectrometry and complement the experiment by density functional theory (DFT) calculations. The microhydration of (H2SO4)m(H2O)n clusters is controlled by the expansion conditions, and the electron attachment yields the main cluster ion series (H2SO4)m(H2O)nHSO4− and (H2O)nH2SO4−. The mass spectra provide an experimental evidence for the onset of the ionic dissociation of sulfuric acid and ion-pair (HSO4−  ⋅  ⋅  ⋅  H3O+) formation in the neutral H2SO4(H2O)n clusters with n ≥ 5 water molecules, in excellent agreement with the theoretical predictions. In the clusters with two sulfuric acid molecules (H2SO4)2(H2O)n this process starts as early as n ≥ 2 water molecules. The (H2SO4)m(H2O)nHSO4− clusters are formed after the dissociative electron attachment to the clusters containing the (HSO4−  ⋅  ⋅  ⋅  H3O+) ion-pair structure, which leads to the electron recombination with the H3O+ moiety generating H2O molecule and the H-atom dissociation from the cluster. The (H2O)nH2SO4− cluster ions point to an efficient caging of the H atom by the surrounding water molecules. The electron-energy dependencies exhibit an efficient electron attachment at low electron energies below 3 eV, and no resonances above this energy, for all the measured mass peaks. This shows that in the atmospheric chemistry only the low-energy electrons can be efficiently captured by the sulfuric acid–water clusters and converted into the negative ions. Possible atmospheric consequences of the acidic dissociation in the clusters and the electron attachment to the sulfuric acid–water aerosols are discussed.

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