Bonding in the helium dimer in strong magnetic fields: the role of spin and angular momentum

Literature Information

Publication Date 2020-09-30
DOI 10.1039/D0CP03259J
Impact Factor 3.676
Authors

Jon Austad, Alex Borgoo, Erik I. Tellgren, Trygve Helgaker


View Original

Abstract

We investigate the helium dimer in strong magnetic fields, focusing on the spectrum of low-lying electronic states and their dissociation curves, at the full configuration-interaction level of theory. To address the loss of cylindrical symmetry and angular momentum as a good quantum number for nontrivial angles between the bond axis and magnetic field, we introduce the almost quantized angular momentum (AQAM) and show that it provides useful information about states in arbitrary orientations. In general, strong magnetic fields dramatically rearrange the spectrum, with the orbital Zeeman effect bringing down states of higher angular momentum below the states with pure σ character as the field strength increases. In addition, the spin Zeeman effect pushes triplet states below the lowest singlet; in particular, a field of one atomic unit is strong enough to push a quintet state below the triplets. In general, the angle between the bond axis and the magnetic field also continuously modulates the degree of σ, π, and δ character of bonds and the previously identified perpendicular paramagnetic bonding mechanism is found to be common among excited states. Electronic states with preferred skew field orientations are identified and rationalized in terms of permanent and induced electronic currents.

Related Literature

Utilizing machine learning to expedite the fabrication and biological application of carbon dots

Peide Zhu, Rongye Zhu, Juncheng Wang

2023-11-01 Review Article

DOI: 10.1039/D3MA00443K

A novel triphenylamine based push–pull fluorophore bearing a 2-thiohydantoin unit for toxic Hg2+ ion detection: exploring its potential for live cell imaging

Pratiksha P. Gawas, Buthanapalli Ramakrishna, Rajesh Pamanji, Joseph Selvin, Venkatramaiah Nutalapati

2023-11-22 Paper

DOI: 10.1039/D3MA00559C

Soft grafting of DNA over hexagonal copper sulfide for low-power memristor switching

Smita Gajanan Naik, M. K. Rabinal, Shouvik Datta

2023-09-30 Paper

DOI: 10.1039/D3MA00080J

Front cover

2023-11-27 Cover

DOI: 10.1039/D3MA90098C

A comprehensive insight into deep-level defect engineering in antimony chalcogenide solar cells

Swapnil Barthwal, Siddhant Singh, Abhishek K. Chauhan, Nimitha S. Prabhu, Akila G. Prabhudessai, K. Ramesh

2023-10-13 Review Article

DOI: 10.1039/D3MA00479A

White light-activated bactericidal coating using acrylic latex, crystal violet, and zinc oxide nanoparticles

Gi Byoung Hwang, Joe Stent, Sacha Noimark, Ki Joon Heo, Alexander J. MacRobert, Enrico Salvadori, Charlotte K. Williams, Sebastian D. Pike, Milo S. P. Shaffer, Elaine Allan, Ivan P. Parkin

2023-10-19 Paper

DOI: 10.1039/D3MA00509G

Back cover

2023-12-11 Cover

DOI: 10.1039/D3MA90106H

Stabilities of bis(thienyl)ethenes in polymethyl methacrylate (PMMA) coatings as absorbance modulation layers for nanoscale imaging

Sven Nagorny, Marvin Schewe, Thea Weingartz, André Eitzeroth, Jörg Adams, Christian Rembe, Andreas Schmidt

2023-11-15 Paper

DOI: 10.1039/D3MA00791J

A highly sensitive and room temperature ethanol gas sensor based on spray deposited Sb doped SnO2 thin films

Ramarajan Ramanathan, Selvakumar Nagarajan, Surya Sathiyamoorthy, Balaji Manavaimaran, Harish C. Barshilia, Ramesh Chandra Mallik

2023-12-06 Paper

DOI: 10.1039/D3MA00696D

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.