Is C60 buckminsterfullerene aromatic?
Literature Information
Zhongfang Chen, Judy I. Wu, Clémence Corminboeuf, Jonathan Bohmann, Xin Lu, Andreas Hirsch, Paul von Ragué Schleyer
C60 does not have “superaromatic” or even aromatic character, but is a spherically π antiaromatic and enormously strained species. This explains its very large and positive heat of formation (610 ± 30 kcal mol−1). The π electron character of C60 was analyzed by dissected nucleus independent chemical shifts (NICS). The results were employed to examine the scope and limitations of Hirsch's 2(N + 1)2 spherical aromaticity rule for several globular cages. C202+ (18 π electrons) and C6010+ (50 π electrons) are spherically π aromatic, but C20 (20 π electrons) and C60 (60 π electrons) are spherically π antiaromatic, due to the high paratropicity of their half-filled π subshells. Limitations for Hirsch's rule, for clusters with more than 50 π electrons, are illustrated by e.g. the π aromaticity of the 66 π electron C606− and the lack of π aromaticity of the 72 π electron C48N12 and C6012−.
Recommended Journals
Related Literature
Unified reaction pathways for the prebiotic formation of RNA and DNA nucleobases
Yassin Aweis Jeilani, Phoenix N. Williams, Sofia Walton, Minh Tho Nguyen
DOI: 10.1039/C6CP02686A
Double deuterated acetylacetone in neon matrices: infrared spectroscopy, photoreactivity and the tunneling process
Michèle Chevalier, Claudine Crépin
DOI: 10.1039/C6CP02796B
Alkali metal ion induced cube shaped mesoporous hematite particles for improved magnetic properties and efficient degradation of water pollutants
Mouni Roy, Milan Kanti Naskar
DOI: 10.1039/C6CP02442D
An advanced approach for measuring acidity of hydroxyls in confined space: a FTIR study of low-temperature CO and 15N2 adsorption on MOF samples from the MIL-53(Al) series
M. Mihaylov, S. Andonova, K. Chakarova, A. Vimont, E. Ivanova, N. Drenchev, K. Hadjiivanov
DOI: 10.1039/C5CP04139B
Quantum mechanical study of the β- and δ-lyase reactions during the base excision repair process: application to FPG
Shahin Sowlati-Hashjin, Stacey D. Wetmore
DOI: 10.1039/C5CP04250J
Anomalous system-size dependence of electrolytic cells with an electrified oil–water interface
Niels Boon, René van Roij
DOI: 10.1039/C5CP02945G
Theoretical study of the reactions of Criegee intermediates with ozone, alkylhydroperoxides, and carbon monoxide
L. Vereecken, W. J. Bloss
DOI: 10.1039/C5CP03862F
Enhanced electron spin rotation in CdS quantum dots
Yasuaki Masumoto, Hikaru Umino, Jianhui Sun, Eri Suzumura
DOI: 10.1039/C5CP04256A
Aqueous biphasic systems composed of ionic liquids and polypropylene glycol: insights into their liquid–liquid demixing mechanisms
Catarina M. S. S. Neves, Jesus Lemus, Jorge F. B. Pereira, Mara G. Freire, João A. P. Coutinho
DOI: 10.1039/C6CP04023C
Switchable polarization in an unzipped graphene oxide monolayer
Mohammad Noor-A-Alam, Young-Han Shin
DOI: 10.1039/C6CP04242B
You might also like
What precautions should be taken when handling 4-Methyl-6-(trifluoromethyl)quinoline (CAS: 40716-16-3)?
When handling 4-Methyl-6-(trifluoromethyl)quinoline (CAS: 40716-16-3), safety go...
What is 4-(3,5-Difluorophenyl)aniline (CAS: 405058-00-6)?
4-(3,5-Difluorophenyl)aniline is an aromatic organic compound with the CAS numbe...
How is 5-{[4-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylic acid (CAS: 338982-07-3) typically synthesized?
5-{[4-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylic acid can ...
What is the market or research trend for 4-Benzylaniline hydrochloride (CAS: 6317-57-3)?
The market for 4-Benzylaniline hydrochloride (CAS: 6317-57-3) is steadily growin...
Is [3-(Diethylsulfamoyl)phenyl]boronic acid (CAS: 871329-58-7) safe?
[3-(Diethylsulfamoyl)phenyl]boronic acid is generally considered safe when handl...
What are the main uses of 3-Bromo-2,5-dimethoxyaniline (CAS: 115929-62-9)?
3-Bromo-2,5-dimethoxyaniline is mainly used in the pharmaceutical and chemical i...
What regulatory guidelines apply to N-Methyl-1-(5-methyl-1H-indol-3-yl)methanamine (CAS: 915922-67-7)?
N-Methyl-1-(5-methyl-1H-indol-3-yl)methanamine (CAS: 915922-67-7) is subject to ...
What industries use Carbamic acid, N-[(5S)-5,6-diamino-6-oxohexyl]-, 1,1-dimethylethyl ester (CAS: 24828-96-4)?
This compound is primarily used in the pharmaceutical industry for the synthesis...
How should 2-Methyl-2-propanyl [(1S,3R)-3-aminocyclohexyl]carbamate (CAS: 1298101-47-9) be stored?
2-Methyl-2-propanyl [(1S,3R)-3-aminocyclohexyl]carbamate (CAS: 1298101-47-9) sho...
What industries use Ethyl 2-bromo-4,4,4-trifluorobutanoate (CAS: 367-33-9)?
Ethyl 2-bromo-4,4,4-trifluorobutanoate (CAS: 367-33-9) is utilized in the pharma...
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.










![N-{3-[Benzyl(methyl)amino]propyl}-9-chloro-5,6,7,8-tetrahydro-2-acridinecarboxamide structure N-{3-[Benzyl(methyl)amino]propyl}-9-chloro-5,6,7,8-tetrahydro-2-acridinecarboxamide structure](https://static.chemtradehub.com/structs/142/1426944-49-1-1e4c.webp)

![Methyl 3-({2'-[(E)-(hydroxyhydrazono)methyl]-4-biphenylyl}methyl)-2-oxo-2,3-dihydro-1H-benzimidazole-4-carboxylate structure Methyl 3-({2'-[(E)-(hydroxyhydrazono)methyl]-4-biphenylyl}methyl)-2-oxo-2,3-dihydro-1H-benzimidazole-4-carboxylate structure](https://static.chemtradehub.com/structs/149/1499167-72-4-034a.webp)
![Imidazo[1,2-c]pyrimidine structure Imidazo[1,2-c]pyrimidine structure](https://static.chemtradehub.com/structs/274/274-78-2-8b4c.webp)
