Binding of the atomic cations hydrogen through argon to water and hydrogen sulfide

Literature Information

Publication Date 2018-10-02
DOI 10.1039/C8CP05378B
Impact Factor 3.676
Authors

Brent R. Westbrook, Katelyn M. Dreux, Gregory S. Tschumper, Joseph S. Francisco, Ryan C. Fortenberry


View Original

Abstract

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.

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

2023-12-14 Paper

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

2023-12-08 Paper

DOI: 10.1039/D3SE01184D

Front cover

2023-11-21 Cover

DOI: 10.1039/D3SE90088F

Revision of the oxygen reduction reaction on N-doped graphenes by grand-canonical DFT

Sergey V. Pavlov, Victoria A. Nikitina, Sergey A. Kislenko

2023-11-23 Paper

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

2023-12-18 Paper

DOI: 10.1039/D3SE01171B

UV-spectrum and photodecomposition of peroxynitrous acid in the troposphere

Najoua Derbel, Alexander Alijah, Thibaud Cours

2023-11-27 Paper

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

2023-10-23 Communication

DOI: 10.1039/D3SE01241G

Group 13 five- and six-membered rings with rare 2π aromaticity

Yutong Huo, Xiaojiao Gu, Xinde Li, Peng Jin

2023-11-24 Paper

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

2023-12-12 Review Article

DOI: 10.1039/D3CP04907H

You might also like

Compound Q&A

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) ...

265652-39-94-Bromo-3-methyl-2-t...
Compound Q&A

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...

136779-26-5(2S,5S,2'S,5'S)-1,1'...
Compound Q&A

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...

1214910-61-8Ethyl 2-(2-bromo-5-f...
Compound Q&A

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...

4792-30-74-Methyl-2-benzofura...
Compound Q&A

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...

936498-04-34,6-Dichloroquinolin...
Compound Q&A

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...

385815-83-8Chloro[tris(para-tri...
Compound Q&A

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...

823-73-42-Bromo-5-nitrofuran
Compound Q&A

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...

212631-85-15-Bromo-2,3,4-triflu...
Compound Q&A

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 ...

7214-08-6Zinc bis(aminoacetat...
Compound Q&A

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...

770-71-8Adamantan-1-ylmethan...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

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.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.