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Unexpected Formation of Metallofulleroids from Multicomponent Reactions, with Crystallographic and Computational Studies of the Cluster Motion

Journal Article · · Angewandte Chemie
 [1];  [1];  [2];  [1];  [1];  [1];  [1];  [1];  [2];  [2];  [1]
  1. Department of Chemistry and Chemical Biology Rutgers, The State University of New Jersey 123 Bevier Rd Piscataway NJ 08854 USA
  2. Departament de Química Física i Inorgànica Universitat Rovira i Virgili Marcel⋅lí Domingo 1 43007 Tarragona Spain
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Abstract

New multicomponent reactions involving an isocyanide, terminal or internal alkynes, and endohedral metallofullerene (EMF) Lu 3 N@C 80 yield metallofulleroids which are characterized by mass‐spectrometry, HPLC, and multiple 1D and 2D NMR techniques. Single crystal studies revealed one ketenimine metallofulleroid has ordered Lu 3 N cluster which is unusual for EMF monoadducts. Computational analysis, based on crystallographic data, confirm that the endohedral cluster motion is controlled by the position of the exohedral organic appendants. Our findings provide a new functionalization reaction for EMFs, and a potential facile approach to freeze the endohedral cluster motion at relatively high temperatures.

Sponsoring Organization:
USDOE
Grant/Contract Number:
SC0020260
OSTI ID:
1826842
Journal Information:
Angewandte Chemie, Journal Name: Angewandte Chemie Journal Issue: 48 Vol. 133; ISSN 0044-8249
Publisher:
Wiley Blackwell (John Wiley & Sons)Copyright Statement
Country of Publication:
Germany
Language:
English

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