Binding of the atomic cations hydrogen through argon to water and hydrogen sulfide
Literature Information
Brent R. Westbrook, Katelyn M. Dreux, Gregory S. Tschumper, Joseph S. Francisco, Ryan C. Fortenberry
Water and hydrogen sulfide will bind with every atomic cation from the first three rows of the periodic table. While some atoms bind more tightly than others, explicitly correlated coupled cluster theory computations show that energy is required to be put into the system in order to dissociate these bonds even for noble gas atoms. The most promising systems have shallow entrance potential energy surfaces (PESs) that lie above deeper wells of a different spin. These wells are shown explicitly for H2OO+, H2SS+, and H2OS+ where relaxed PESs of the heavy atom bond lengths indicate that quartet states will cross more deeply-bound doublet states allowing for relatively easy association but much more difficult dissociation. In astrophysical regions that are cold and diffuse, such associations could lead to the formation of novel molecules utilizing water (or H2S) as the building blocks of more rich subsequent chemistry. Recent work has hypothesized that oxywater (H2OO) may be an intermediate in the formation of molecular oxygen in comets, and this work supports such a conclusion at least from a molecular cation perspective.
Recommended Journals

Critical Reviews in Solid State and Materials Sciences

Acta Metallurgica Sinica-English Letters

Journal of Asian Natural Products Research

Atomization and Sprays

Herald of the Russian Academy of Sciences

Journal of the Indian Institute of Science

Bioorganic & Medicinal Chemistry

Biocatalysis and Biotransformation

Colloid Journal

Electroanalysis
Related Literature
Differential effects of MoO3 and MoO2 sacrificial layers on the J–V performance of Cu2ZnSn(S,Se)4 solar cells
Jinhui Zhang, Chuanhe Ma, Haixuan Gao, Jinchun Jiang, Hailong Wang
DOI: 10.1039/D3SE01409F
Design for six sigma-based energy management for a plug-in fuel cell electric bus considering the noise disturbance
Daizheng Hou, Ruijie Li, Qiang Wang
DOI: 10.1039/D3SE01184D
Revision of the oxygen reduction reaction on N-doped graphenes by grand-canonical DFT
Sergey V. Pavlov, Victoria A. Nikitina, Sergey A. Kislenko
DOI: 10.1039/D3CP04517J
In situ-fabricated quasi-solid polymer electrolytes incorporating an ionic liquid for flexible supercapacitors
Hai Lu, Peichun Wang, Yitian Ma, Meng Liu, Linqing Chang, Rui Feng, Shuliang Luo, Zhiyun Zhang, Yi Wang, Yan Yuan
DOI: 10.1039/D3SE01171B
UV-spectrum and photodecomposition of peroxynitrous acid in the troposphere
Najoua Derbel, Alexander Alijah, Thibaud Cours
DOI: 10.1039/D3CP04580C
CeO2-supported multi-nuclear NbxSy clusters for hydrogen evolution reaction
Hongxian Liu, Chencheng Zhao, Hong Li, Xuelan Li, Xianfeng Mu, Dunhua Hong, Furu Zhong, Zhenxing Fang, Yanning Zhang
DOI: 10.1039/D3SE01241G
Adsorption and dehydrogenation of ammonia on Ru55, Cu55 and Ru@Cu54 nanoclusters: role of single atom alloy catalyst
D. Chattaraj, C. Majumder
DOI: 10.1039/D3CP04830F
Group 13 five- and six-membered rings with rare 2π aromaticity
Yutong Huo, Xiaojiao Gu, Xinde Li, Peng Jin
DOI: 10.1039/D3CP04159J
Wandering through quantum-mechanochemistry: from concepts to reactivity and switches
Mercedes Alonso, Tom Bettens, Jochen Eeckhoudt, Paul Geerlings, Frank De Proft
DOI: 10.1039/D3CP04907H
You might also like
How should waste containing 4-Bromo-3-methyl-2-thiophenecarboxylic acid (CAS: 265652-39-9) be handled?
Waste containing 4-Bromo-3-methyl-2-thiophenecarboxylic acid (CAS: 265652-39-9) ...
What industries use (2S,5S,2'S,5'S)-1,1'-(1,2-Ethanediyl)bis(2,5-dimethylphospholane) (CAS: 136779-26-5)?
(2S,5S,2'S,5'S)-1,1'-(1,2-Ethanediyl)bis(2,5-dimethylphospholane) is primarily u...
What industries use Ethyl 2-(2-bromo-5-fluorophenyl)acetate (CAS: 1214910-61-8)?
Ethyl 2-(2-bromo-5-fluorophenyl)acetate (CAS: 1214910-61-8) is used in the pharm...
How is 4-Methyl-2-benzofuran-1,3-dione (CAS: 4792-30-7) typically synthesized?
4-Methyl-2-benzofuran-1,3-dione (CAS: 4792-30-7) can be synthesized through seve...
What industries use 4,6-Dichloroquinoline-3-carbonitrile (CAS: 936498-04-3)?
4,6-Dichloroquinoline-3-carbonitrile (CAS: 936498-04-3) is used in the pharmaceu...
What are the main uses of Chloro[tris(para-trifluoromethylphenyl)phosphine]gold(I) (CAS: 385815-83-8)?
Chloro[tris(para-trifluoromethylphenyl)phosphine]gold(I) is primarily used in or...
Is 2-Bromo-5-nitrofuran (CAS: 823-73-4) safe?
2-Bromo-5-nitrofuran (CAS: 823-73-4) is generally considered safe when handled w...
How should 5-Bromo-2,3,4-trifluorobenzoic acid (CAS: 212631-85-1) be stored?
5-Bromo-2,3,4-trifluorobenzoic acid should be stored in a cool, dry place away f...
What are the main uses of Zinc bis(aminoacetate) (CAS: 7214-08-6)?
Zinc bis(aminoacetate) (CAS: 7214-08-6) is primarily used in the pharmaceutical ...
How should Adamantan-1-ylmethanol (CAS: 770-71-8) be stored?
Adamantan-1-ylmethanol should be stored in a cool, dry, and well-ventilated plac...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
![Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) butyl[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]malonate structure Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) butyl[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]malonate structure](https://static.chemtradehub.com/structs/638/63843-89-0-665e.webp)
![[4-(Hydroxymethyl)phenyl]acetic acid structure [4-(Hydroxymethyl)phenyl]acetic acid structure](https://static.chemtradehub.com/structs/734/73401-74-8-5a54.webp)


![N-[(9Z)-9-Octadecen-1-yl]-1,3-propanediamine structure N-[(9Z)-9-Octadecen-1-yl]-1,3-propanediamine structure](https://static.chemtradehub.com/structs/717/7173-62-8-d43e.webp)