s ‐Indacene: A Delocalized, Formally Antiaromatic 12 π Electron System
1994; Wiley; Volume: 33; Issue: 11 Linguagem: Inglês
10.1002/anie.199411921
ISSN1521-3773
AutoresRoland H. Hertwig, Max C. Holthausen, Wolfram Koch, Zvonimir B. Maksić,
Tópico(s)Fullerene Chemistry and Applications
ResumoAngewandte Chemie International Edition in EnglishVolume 33, Issue 11 p. 1192-1194 Communication s-Indacene: A Delocalized, Formally Antiaromatic 12 π Electron System† Dipl.-Chem. Roland H. Hertwig, Dipl.-Chem. Roland H. Hertwig Institut für Organische Chemie der Technischen Universität, Strasse des 17. Juni 135, D-10623 Berlin (FRG)Search for more papers by this authorDipl.-Chem. Max C. Holthausen, Dipl.-Chem. Max C. Holthausen Institut für Organische Chemie der Technischen Universität, Strasse des 17. Juni 135, D-10623 Berlin (FRG)Search for more papers by this authorProf. Dr. Wolfram Koch, Corresponding Author Prof. Dr. Wolfram Koch Institut für Organische Chemie der Technischen Universität, Strasse des 17. Juni 135, D-10623 Berlin (FRG)Institut für Organische Chemie der Technischen Universität, Strasse des 17. Juni 135, D-10623 Berlin (FRG)Search for more papers by this authorProf. Dr. Zvonimir B. Maksić, Prof. Dr. Zvonimir B. Maksić Ruder Bošković Institute, Bijenička 54, HR-41001 Zagreb (Croatia)Search for more papers by this author Dipl.-Chem. Roland H. Hertwig, Dipl.-Chem. Roland H. Hertwig Institut für Organische Chemie der Technischen Universität, Strasse des 17. Juni 135, D-10623 Berlin (FRG)Search for more papers by this authorDipl.-Chem. Max C. Holthausen, Dipl.-Chem. Max C. Holthausen Institut für Organische Chemie der Technischen Universität, Strasse des 17. Juni 135, D-10623 Berlin (FRG)Search for more papers by this authorProf. Dr. Wolfram Koch, Corresponding Author Prof. Dr. Wolfram Koch Institut für Organische Chemie der Technischen Universität, Strasse des 17. Juni 135, D-10623 Berlin (FRG)Institut für Organische Chemie der Technischen Universität, Strasse des 17. Juni 135, D-10623 Berlin (FRG)Search for more papers by this authorProf. Dr. Zvonimir B. Maksić, Prof. Dr. Zvonimir B. Maksić Ruder Bošković Institute, Bijenička 54, HR-41001 Zagreb (Croatia)Search for more papers by this author First published: June 22, 1994 https://doi.org/10.1002/anie.199411921Citations: 45 † This research was supported by the Gesellschaft von Freunden der TU Berlin and the Fonds der Chemischen Industrie. Excellent service, in particular by Dr. T. Steinke, and a generous amount of computing time was provided by the Konrad-Zuse Zentrum für Informationstechnik Berlin. AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat Abstract A D2h-symmetric structure with a delocalized π electron system describes the ground state of s-indacene (1), although it is a formally antiaromatic system. These results, obtained by both high-level ab initio MO methods and calculations based on density functional theory, are in agreement with the known structure of 1,3,5,7-tetra-tert-butyl-s-indacene. Citing Literature Volume33, Issue11June 22, 1994Pages 1192-1194 RelatedInformation
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