Trapping N2 and CO2 on the Sub‐Nano Scale in the Confined Internal Spaces of Open‐Cage C60 Derivatives: Isolation and Structural Characterization of the Host–Guest Complexes. (16th October 2015)

• Record Type: Journal Article
• Authors: Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro
• Is Part Of: Angewandte Chemie. Volume 127:Number 49(2015)
• Page Start: 15004
• Page End: 15007
• Publication Date: 2015-10-16
• Subjects: CO2 -- Fullerene -- N2 -- Offenes C60 -- Wirt‐Gast‐Chemie; Chemistry -- Periodicals; 540
• DOI: 10.1002/ange.201507785
• Languages: English
• ISSNs: 0044-8249

Abstract

Abstract: An open‐cage C60 tetraketone with a large opening was able to encapsulate N2 and CO2 molecules after its exposure to high pressures of N2 and CO2 gas. A subsequent selective reduction of one of the four carbonyl groups on the rim of the opening induced a contraction of the opening (→2 ) and trapped the guest molecules inside 2 . The thus‐obtained host–guest complexes N2 @2 and CO2 @2 could be isolated by recycling HPLC, and were found to be stable at room temperature. The molecular structures of N2 @2 and CO2 @2 were determined by single‐crystal X‐ray diffraction analyses, and revealed a short NN triple bond for the encapsulated N2, as well as an unsymmetric molecular structure for the encapsulated molecule of CO2 . The IR spectrum of CO2 @2 suggested that the rotation of the encapsulated molecule of CO2 is partially restricted, which was supported by DFT calculations. Abstract : Molekülfalle : Nach Insertion von N2 ‐ und CO2 ‐Molekülen in ein offenes C60 ‐Tetraketon induziert die selektive Reduktion einer der vier Carbonylgruppen eine Verengung der Öffnung und somit den Einschluss der Gastmoleküle. Die entsprechenden Molekülkomplexe wurden mithilfe von HPLC isoliert und durch Röntgenstrukturanalysen charakterisiert.