How many bound valence states does the C60− anion have?

Literature Information

Publication Date 2016-03-24
DOI 10.1039/C6CP00667A
Impact Factor 3.676
Authors

Shachar Klaiman, Lorenz S. Cederbaum


View Original

Abstract

We report on unprecedentedly large coupled cluster calculations for the C60− anion, and on a heuristic model uncovering the valence states of C60− that allow the resolution of the headlined question. Our results convincingly demonstrate that C60− possesses as many as four bound valence states: 2T1u, 2T1g, 2T2u and 2Hg. Our findings reconcile previous controversies regarding the existence of the bound 2T2u and 2Hg states. For all bound states of C60− we present an analysis of the radial and angular distributions of the excess electron, which reveals some unique properties of the valence states. Some interesting features of the introduced model are analyzed and discussed.

Related Literature

The influences of monomer structure and solvent on the radical copolymerization of tertiary amine and PEGylated methacrylates

Priscila Quiñonez-Angulo, Robin A. Hutchinson, Ángel Licea-Claveríe, Enrique Saldívar-Guerra, Iván Zapata-González

2021-08-24 Paper

DOI: 10.1039/D1PY00750E

On the limitations of cationic polymerization of vinyl monomers in aqueous dispersed media

Aurélie Destephen

2021-11-01 Paper

DOI: 10.1039/D1PY01046H

Highly efficient terpolymerizations of ethylene/propylene/ENB with a half-titanocene catalytic system

Yi-Cong Wang, Pei-Yi Cheng, Zhi-Qian Zhang, Ke-Xin Fan, Rui-Qi Lu, Shu Zhang, Yi-Xian Wu

2021-10-29 Paper

DOI: 10.1039/D1PY01140E

Recent developments in stimuli-responsive luminescent polymers composed of boron compounds

Shunichiro Ito, Masayuki Gon, Kazuo Tanaka, Yoshiki Chujo

2021-10-01 Review Article

DOI: 10.1039/D1PY01170G

Synthesis and optoelectronic properties of benzodithiophene-based conjugated polymers with hydrogen bonding nucleobase side chain functionality

Sina Sabury, Tyler J. Adams, Margaret Kocherga, Michael G. Walter

2020-08-11 Paper

DOI: 10.1039/D0PY00972E

Green-light photocleavable meso-methyl BODIPY building blocks for macromolecular chemistry

Paul Strasser, Pauline Stadler, Patrick Breiteneder, Günther Redhammer, Markus Himmelsbach, Oliver Brüggemann, Uwe Monkowius, Ian Teasdale

2021-11-16 Paper

DOI: 10.1039/D1PY01245B

Front cover

Cover

DOI: 10.1039/D0PY90130J

High-performance polyamides with engineered disorder

Julien Cretenoud, Sandor Balog, Véronique Michaud, Jean-Marc Chenal, Olivier Lame, Christopher J. G. Plummer, Holger Frauenrath

2021-10-15 Paper

DOI: 10.1039/D1PY01225H

You might also like

Compound Q&A

What is the market or research trend for N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0)?

N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0) is increasingly being used ...

52818-63-0N-(4-Methoxybenzyl)-...
Compound Q&A

What precautions should be taken when handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate (CAS: 1050507-06-6)?

When handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate, appropriate p...

1050507-06-6Ethyl 4-(2-chlorophe...
Compound Q&A

What regulatory guidelines apply to diethyldiselane (CAS: 628-39-7)?

Diethyldiselane (CAS: 628-39-7) is classified under the Globally Harmonized Syst...

628-39-7Diethyldiselane
Compound Q&A

What is the market or research trend for oxocopper (CAS: 12053-18-8)?

The market for oxocopper (CAS: 12053-18-8) is primarily driven by its use in cat...

12053-18-8oxocopper; oxo-(oxoc...
Compound Q&A

What is the market or research trend for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-carboxylic acid?

The market for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-c...

1268519-54-55-{[(2-Methyl-2-prop...
Compound Q&A

What is 2-(1-Pyrrolidinyl)-4-pyridinamine (CAS: 35981-63-6)?

2-(1-Pyrrolidinyl)-4-pyridinamine is a chemical compound with the CAS number 359...

35981-63-62-(1-Pyrrolidinyl)-4...
Compound Q&A

What are the physical and chemical properties of 2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1)?

2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1) is a crystalline sol...

91556-75-12-(3-Pyridinyl)-1-az...
Compound Q&A

How is (S)-Alpha-allyl-proline hydrochloride (CAS: 129704-91-2) typically synthesized?

(S)-Alpha-allyl-proline hydrochloride is usually synthesized via a Wittig reacti...

129704-91-2(S)-Alpha-allyl-prol...
Compound Q&A

What is 3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5)?

3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) is an organic compound w...

4857-42-53-Methyl-1,2-oxazole...
Compound Q&A

How is Lys-SMCC-DM1 (CAS: 1281816-04-3) typically synthesized?

Lys-SMCC-DM1 is synthesized via a multi-step process involving the coupling of S...

1281816-04-3Lys-SMCC-DM1

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.