Ionic Route to Atmospheric Relevant HO<sub>2</sub> and Protonated Formaldehyde from Methanol Cation and O<sub>2</sub>

Ionic Route to Atmospheric Relevant HO<sub>2</sub> and Protonated Formaldehyde from Methanol Cation and O<sub>2</sub>

Gas-phase ion chemistry influences atmospheric processes, particularly in the formation of cloud condensation nuclei by producing ionic and neutral species in the upper troposphere–stratosphere region impacted by cosmic rays. This work investigates an exothermic ionic route to the formation of hydro...

Full description

Bibliographic Details
Main Authors:	Mauro Satta, Daniele Catone, Mattea Carmen Castrovilli, Francesca Nicolanti, Antonella Cartoni
Format:	Article
Language:	English
Published:	MDPI AG 2024-03-01
Series:	Molecules
Subjects:	rate coefficient cosmic rays hydrogen transfer ion molecule reaction synchrotron radiation ab initio calculations
Online Access:	https://www.mdpi.com/1420-3049/29/7/1484

Similar Items

CH<sub>3</sub>OH<sup>•+</sup> + CH<sub>4</sub> Reaction: Mechanistic Insights and Reaction Rates for Astrochemical and Atmospheric Environments
by: Mauro Satta, et al.
Published: (2025-02-01)

Lattice Dynamics of Ni<sub>3-x</sub>Co<sub>x</sub>B<sub>2</sub>O<sub>6</sub> Solid Solutions
by: Svetlana N. Sofronova, et al.
Published: (2024-11-01)

Twin Domain Structure in Magnetically Doped Bi<sub>2</sub>Se<sub>3</sub> Topological Insulator
by: Jakub Šebesta, et al.
Published: (2020-10-01)

First-Principle Study of Ca<sub>3</sub>Y<sub>2</sub>Ge<sub>3</sub>O<sub>12</sub> Garnet: Dynamical, Elastic Properties and Stability under Pressure
by: Alfonso Muñoz, et al.
Published: (2022-12-01)

Ab Initio Modeling of CuGa<sub>1−x</sub>In<sub>x</sub>S<sub>2</sub>, CuGaS<sub>2(1−x)</sub>Se<sub>2x</sub> and Ag<sub>1−x</sub>Cu<sub>x</sub>GaS<sub>2</sub> Chalcopyrite Solid Solutions for Photovoltaic Applications
by: Jurij Grechenkov, et al.
Published: (2023-06-01)

Structural, Mechanical, Electronic, Optical, and Thermodynamic Properties of New Oxychalcogenide A<sub>2</sub>O<sub>2</sub>B<sub>2</sub>Se<sub>3</sub> (A = Sr, Ba; B = Bi, Sb) Compounds: A First-Principles Study
by: Abdulrahman Mallah, et al.
Published: (2023-01-01)

Ab Initio Investigation of the Hydration of the Tetrahedral d<sup>0</sup> Transition Metal Oxoanions NbO<sub>4</sub><sup>3−</sup>, TaO<sub>4</sub><sup>3−</sup>, CrO<sub>4</sub><sup>2−</sup>, MoO<sub>4</sub><sup>2−</sup>, WO<sub>4</sub><sup>2−</sup>, MnO<sub>4</sub><sup>−</sup>, TcO<sub>4</sub><sup>−</sup>, ReO<sub>4</sub><sup>−</sup>, and of FeO<sub>4</sub>, RuO<sub>4</sub>, and OsO<sub>4</sub>
by: Barbara L. Goodall, et al.
Published: (2024-08-01)

Theoretical Study of the Magnetic Properties of the SmFe<sub>12−x</sub>Mo<sub>x</sub> (x = 1, 2) and SmFe<sub>10</sub>Mo<sub>2</sub>H Compounds
by: Diana Benea, et al.
Published: (2024-06-01)

First Principles Study of the Phase Stability, the Li Ionic Diffusion, and the Conductivity of the Li<sub>10</sub>Ge<sub>x</sub>Mo<sub>1−x</sub>P<sub>2</sub>S<sub>12</sub> of Superionic Conductors
by: Yifang Wu, et al.
Published: (2024-09-01)

Computational Discovery of New Feasible Crystal Structures in Ce<sub>3</sub>O<sub>3</sub>N
by: Jelena Zagorac, et al.
Published: (2023-05-01)

Magnetic Anisotropy Tailoring by <i>5d</i>-Doping in (Fe,Co)<sub>5</sub>SiB<sub>2</sub> Alloys
by: Diana Benea
Published: (2023-12-01)

Computational study quantum-mechanical interaction of molecular hydrogen [H<sub>2</sub>] with the ZnO<sub>4</sub> (1.4-benzenedicarboxylate)<sub>3</sub> [MOF-5]
by: Fernando Javier Torres, et al.
Published: (2009-04-01)

Magnetic Properties of the Fe<sub>2</sub>B Alloy Doped with Transition Metal Elements
by: Diana Benea, et al.
Published: (2023-04-01)

TiO<sub>2</sub> Gas Sensors Combining Experimental and DFT Calculations: A Review
by: Zirui Yan, et al.
Published: (2022-10-01)

Understanding the Semiconducting-to-Metallic Transition in the CF<sub>2</sub>Si Monolayer under Shear Tensile Strain
by: Tarik Ouahrani, et al.
Published: (2022-10-01)

<i>Ab Initio</i> Investigation of Helium Mobility in La<sub>2</sub>Zr<sub>2</sub>O<sub>7</sub> Pyrochlore
by: Yanxia Lu, et al.
Published: (2021-06-01)

A Chain of Vertex-Sharing {Co<sup>III</sup><sub>2</sub>Co<sup>II</sup><sub>2</sub>}<sub>n</sub> Squares with Single-Ion Magnet Behavior
by: Maria-Gabriela Alexandru, et al.
Published: (2023-05-01)

Dissolution Mechanism of YbOF in (LiF-CaF<sub>2</sub>)<sub>eut.</sub> Molten Salt
by: Linsheng Luo, et al.
Published: (2025-01-01)

Theoretical Investigation on Molecular Structure and Electronic Properties of B<sub>x</sub>Li<sub>y</sub> Cluster for Lithium-Ion Batteries with Quantum ESPRESSO Program
by: Mustafa Ali Çipiloğlu, et al.
Published: (2020-07-01)

The <sup>1</sup>S<sub>0</sub> Pairing Gap in Neutron Matter
by: Stefano Gandolfi, et al.
Published: (2022-02-01)

First-Principle Study on Tailoring the Martensitic Transformation of B2 Nb<sub>50−x</sub>Ti<sub>x</sub>Ru<sub>50</sub> Shape-Memory Alloy for Structural Applications
by: Duduzile Nkomo, et al.
Published: (2024-08-01)

The Impact of Vibrational Entropy on the Segregation of Cu to Antiphase Boundaries in Fe<sub>3</sub>Al
by: Martin Friák, et al.
Published: (2021-08-01)

The Effect of Y Doping on Monoclinic, Orthorhombic, and Cubic Polymorphs of HfO<sub>2</sub>: A First Principles Study
by: Eleonora Pavoni, et al.
Published: (2022-12-01)

Catalytic Effect of Ti or Pt in a Hexagonal Boron Nitride Surface for Capturing CO<sub>2</sub>
by: J. M. Ramirez-de-Arellano, et al.
Published: (2021-06-01)

Comparative Hybrid Hartree-Fock-DFT Calculations of WO<sub>2</sub>-Terminated Cubic WO<sub>3</sub> as Well as SrTiO<sub>3</sub>, BaTiO<sub>3</sub>, PbTiO<sub>3</sub> and CaTiO<sub>3</sub> (001) Surfaces
by: R. I. Eglitis, et al.
Published: (2021-04-01)

Enhancing Carbon Acid pK<sub>a</sub> Prediction by Augmentation of Sparse Experimental Datasets with Accurate AIBL (QM) Derived Values
by: Jeffrey Plante, et al.
Published: (2021-02-01)

Impact of Disorder on Properties of Vacancies: A Case Study of B2 and A2 Polymorphs of Non-Stoichiometric Fe<sub>2</sub>CoAl
by: Martin Friák, et al.
Published: (2021-10-01)

A Globally Accurate Neural Network Potential Energy Surface and Quantum Dynamics Studies on Be<sup>+</sup>(<sup>2</sup>S) + H<sub>2</sub>/D<sub>2</sub> → BeH<sup>+</sup>/BeD<sup>+</sup> + H/D Reactions
by: Zijiang Yang, et al.
Published: (2024-07-01)

A DFT Characterization of Structural, Mechanical, and Thermodynamic Properties of Ag<sub>9</sub>In<sub>4</sub> Binary Intermetallic Compound
by: Hsien-Chie Cheng, et al.
Published: (2022-10-01)

Effect of Segregation of Sc, Y and La Atoms on Prenucleation at the Liquid-Al/γ-Al<sub>2</sub>O<sub>3</sub>{1 1 1} Interfaces
by: Changming Fang, et al.
Published: (2022-09-01)

A Quantum-Mechanical Study of Antiphase Boundaries in Ferromagnetic B2-Phase Fe<sub>2</sub>CoAl Alloy
by: Martin Friák, et al.
Published: (2021-10-01)

Kinetic Stability of Si<sub>2</sub>C<sub>5</sub>H<sub>2</sub> Isomer with a Planar Tetracoordinate Carbon Atom
by: Krishnan Thirumoorthy, et al.
Published: (2020-12-01)

Electronic and Molecular Adsorption Properties of Pt-Doped BC<sub>6</sub>N: An Ab-Initio Investigation
by: Nada M. Alghamdi, et al.
Published: (2024-04-01)

TiCl<sub>4</sub> Dissolved in Ionic Liquid Mixtures from Аb Initio Molecular Dynamics Simulations
by: Lars Esser, et al.
Published: (2020-12-01)

Features of the Crystal Structure and Magnetic Characteristics of the Solid Solutions Ni<sub>1–x</sub>M<sub>x</sub>MnSb (M = Fe, Co) Systems
by: G. S. Rymski, et al.
Published: (2023-01-01)

Novel Insights into Surface Energies and Enhanced Gas-Sensing Capabilities of ZnGa<sub>2</sub>O<sub>4</sub>(111) via Ab Initio Studies
by: Cheng-Lung Yu, et al.
Published: (2025-01-01)

Morphological, Structural and Hydrogen Storage Properties of LaCrO<sub>3</sub> Perovskite-Type Oxides
by: Mohamed Amine Lahlou Nabil, et al.
Published: (2022-02-01)

Changes in the Optical Properties of an M-Doped (M = Pt, Ti) hBN Sheet and CO<sub>2</sub> Capturing
by: Juan Manuel Ramírez-de-Arellano, et al.
Published: (2022-12-01)

Solid Solutions Ln<sub>x</sub>U<sub>1−x</sub>C<sub>2</sub> with Ln = Tb, Dy, Ho, Tm, and Lu Showing Ideal <i>Vegard</i> Behavior
by: Christian Tobeck, et al.
Published: (2023-11-01)

Ab Initio Neural Network Potential Energy Surface and Quantum Dynamics Calculations on Na(<sup>2</sup>S) + H<sub>2</sub> → NaH + H Reaction
by: Siwen Liu, et al.
Published: (2024-10-01)