Unexpectedly strong Xe binding by host–guest interaction

Literature Information

Publication Date 2019-11-15
DOI 10.1039/C9CP05562B
Impact Factor 3.676
Authors

Yi Gao


View Original

Abstract

A unique noncovalent interaction between XeO3 and 18-crown-6 has been studied by density functional theory. The calculated results show that there exists an extremely strong binding force between both species, reaching 36.44 kcal mol−1, which is comparable to the strong cation–π interaction. Detailed analyses on relaxed force constants, electrostatic potentials and the independent gradient model, etc. suggest that both quite strong aerogen bondings (Xe⋯O) and relatively weak unconventional H-bondings (C–H⋯O) coexist, and the complex is a typical heterodimer with multiple binding sites. Further studies found that XeO3 takes a quick rotary motion relative to 18-crown-6 in the complex due to low rotary barrier. Another two guest molecules, KrO3 and ArO3, are also discussed.

Related Literature

Enantioselective self-assembly of chiralcalix[4]arene acid with amines

Yan-Song Zheng, Shu-Yun Ran, Yu-Jian Hu, Xian-Xian Liu

2009-01-29 Communication

DOI: 10.1039/B817974C

Dye displacement assay for saccharide detection with boronate hydrogels‡

Winson M. J. Ma, Marta P. Pereira Morais, François D’Hooge, Jean M. H. van den Elsen, Jonathan P. L. Cox, Tony D. James, John S. Fossey

2008-12-19 Communication

DOI: 10.1039/B814379J

Enantiopure imidazolinium-dithiocarboxylates as highly selective novel organocatalysts

Oksana Sereda, Amélie Blanrue, René Wilhelm

2008-12-24 Communication

DOI: 10.1039/B817991C

Formation and dissolution of hen egg white lysozyme amyloid fibrils in protic ionic liquids

Nolene Byrne, C. Austen Angell

2009-02-02 Communication

DOI: 10.1039/B817590J

Versatile, efficient derivatization of polysiloxanesvia click technology

Ferdinand Gonzaga, Gilbert Yu, Michael A. Brook

2009-02-05 Communication

DOI: 10.1039/B821788B

Polyester-graft-phosphorylcholine prepared by ring-opening polymerization and click chemistry

Beth M. Cooper, Delphine Chan-Seng, Debasis Samanta, Xiongfei Zhang, Sangram Parelkar, Todd Emrick

2008-12-17 Communication

DOI: 10.1039/B817600K

Unsuspected mesomorphism in “tail-free” cyclopalladated 3,5-disubstituted-2-(2′-pyridyl)pyrroles

Daniela Pucci, Iolinda Aiello, Alessia Aprea, Anna Bellusci, Alessandra Crispini, Mauro Ghedini

2009-02-20 Communication

DOI: 10.1039/B818603K

You might also like

Compound Q&A

What are the main uses of (5-Sulfamoyl-3-pyridinyl)boronic acid (CAS: 951233-61-7)?

(5-Sulfamoyl-3-pyridinyl)boronic acid is primarily used in chemical synthesis, p...

951233-61-7(5-Sulfamoyl-3-pyrid...
Compound Q&A

How is Benzyl 2-methyl-2-(methylsulfonyl)-4-pentenoate (CAS: 1942858-50-5) typically synthesized?

Benzyl 2-methyl-2-(methylsulfonyl)-4-pentenoate is typically synthesized via est...

1942858-50-5Benzyl 2-methyl-2-(m...
Compound Q&A

What precautions should be taken when handling 8-Fluoroquinolin-6-ol (CAS: 209353-22-0)?

When handling 8-Fluoroquinolin-6-ol (CAS: 209353-22-0), it is important to use p...

209353-22-08-Fluoroquinolin-6-o...
Compound Q&A

What are the physical and chemical properties of 1,3-Dibromo-5-(2-methyl-2-propanyl)benzene (CAS: 129316-09-2)?

1,3-Dibromo-5-(2-methyl-2-propanyl)benzene (CAS: 129316-09-2) is a crystalline c...

129316-09-21,3-Dibromo-5-(2-met...
Compound Q&A

What industries use Ethyl 7-chloro-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate (CAS: 174726-87-5)?

Ethyl 7-chloro-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carbox...

174726-87-5Ethyl 7-chloro-4-oxo...
Compound Q&A

What precautions should be taken when handling Delta-7-Avenasterol (CAS: 23290-26-8)?

When handling Delta-7-Avenasterol (CAS: 23290-26-8), it is important to wear app...

23290-26-8Delta-7-Avenasterol
872992-20-6N-({(5R)-3-[3-Fluoro...
Compound Q&A

What precautions should be taken when handling 2-Methyl-2-proanyl 4-[(2-aminophenyl)amino]-1-piperidinecarboxylate (CAS: 79099-00-6)?

When handling 2-Methyl-2-proanyl 4-[(2-aminophenyl)amino]-1-piperidinecarboxylat...

79099-00-62-Methyl-2-propanyl ...
Compound Q&A

What is N-Methyl-4-chlorobenzylamine hydrochloride (CAS: 65542-24-7)?

N-Methyl-4-chlorobenzylamine hydrochloride (CAS: 65542-24-7) is a organic compou...

65542-24-7N-Methyl-4-chloroben...
Compound Q&A

Is [2-(Dodecyloxy)ethoxy]acetic acid (CAS: 27306-90-7) safe?

[2-(Dodecyloxy)ethoxy]acetic acid (CAS: 27306-90-7) is generally considered safe...

27306-90-7[2-(Dodecyloxy)ethox...

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.