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. Issue 49 (16th October 2015)

• Record Type: Journal Article
• Authors: Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro
• Is Part Of: Angewandte Chemie international edition. Volume 54:Issue 49(2015)
• Page Start: 14791
• Page End: 14794
• Publication Date: 2015-10-16
• Subjects: CO2 -- fullerenes -- host–guest chemistry -- N2 -- open‐cage C60; Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.201507785
• Languages: English
• ISSNs: 1433-7851

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 : Single‐molecule trap : After insertion of N2 and CO2 molecules into open‐cage C60 tetraketone, a subsequent selective reduction of one of the four carbonyl groups induced a contraction of the opening and trapped the guest molecules. The isolation of the thus obtained molecular complexes was accomplished by recycling HPLC. These structures were unambiguously determined by single‐crystal X‐ray analyses.