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  Studying Natural Buckyballs and Buckybowls in Fossil Materials

Farmani, Z., Vetere, A., Poidevin, C., Auer, A. A., & Schrader, W. (2020). Studying Natural Buckyballs and Buckybowls in Fossil Materials. Angewandte Chemie International Edition, 59(35), 15008-15013. doi:10.1002/anie.202005449.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0006-EB6B-A Version Permalink: http://hdl.handle.net/21.11116/0000-0006-EB6C-9
Genre: Journal Article

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 Creators:
Farmani, Zahra1, Author              
Vetere, Alessandro1, Author              
Poidevin, Corentin2, Author              
Auer, Alexander A.2, Author              
Schrader, Wolfgang1, Author              
Affiliations:
1Service Department Schrader (MS), Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445629              
2Research Group Auer, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_2541705              

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Free keywords: buckybowls; coupled-cluster calculations; cruide oil; fullerenes; high-resolution mass spectrometry
 Abstract: Buckyballs (fullerenes) were first reported over 30 years ago, but still little is known regarding their natural occurrence, since they have so far only been found at sites of high‐energy incidents, such as lightning strikes or meteor impacts, but have not been reported in low‐energy materials like fossil fuels. Using ultrahigh‐resolution mass spectrometry, a wide range of fullerenes from C30 to C114 was detected in the asphaltene fraction of a heavy crude oil, together with their building blocks of C10nH10 stoichiometry. High‐level DLPNO‐CCSD(T) calculations corroborate their stability as spherical and hemispherical species. Interestingly, the maximum intensity of the fullerenes was found at C40 instead of the major fullerene C60. Hence, experimental evidence supported by calculations show the existence of not only buckyballs but also buckybowls as 3‐dimensional polyaromatic compounds in fossil materials.

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Language(s): eng - English
 Dates: 2020-04-142020-05-192020-08-24
 Publication Status: Published in print
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/anie.202005449
 Degree: -

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Title: Angewandte Chemie International Edition
  Abbreviation : Angew. Chem., Int. Ed.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: 59 (35) Sequence Number: - Start / End Page: 15008 - 15013 Identifier: ISSN: 1433-7851
CoNE: https://pure.mpg.de/cone/journals/resource/1433-7851