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C80 Cage (c80 + cage)
Selected AbstractsExpanding the Number of Stable Isomeric Structures of the C80 Cage: A New Fullerene Dy3N@C80.CHEMINFORM, Issue 16 2006Shangfeng Yang Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF. [source] Synthesis and Characterization of the D5h Isomer of the Endohedral Dimetallofullerene Ce2@C80: Two-Dimensional Circulation of Encapsulated Metal Atoms Inside a Fullerene CageCHEMISTRY - A EUROPEAN JOURNAL, Issue 37 2009Michio Yamada Dr. Abstract Herein we show the synthesis and characterization of the second known Ce2@C80 isomer. A 13C,NMR spectroscopic study revealed that the structure of the second isomer has D5h symmetry. Paramagnetic NMR spectral analysis and theoretical calculation display that the encapsulated Ce atoms circulate two-dimensionally along a band of ten contiguous hexagons inside a D5h -C80 cage, which is in sharp contrast to the three-dimensional circulation of two Ce atoms in an Ih -C80 cage. The electronic properties were revealed by means of electrochemical measurements. The D5h isomer of Ce2@C80 has a much smaller HOMO,LUMO gap than cluster fullerenes (M3N@C80, M=Sc, Tm, and Lu) with the same D5h -C80 cages. The chemical reactivity was investigated by using disilirane as a chemical probe. The high thermal reactivity toward 1,1,2,2-tetramesityl-1,2-disilirane is consistent with the trends of the redox potentials and the lower LUMO level of the D5h isomer of Ce2@C80 compared with that of C60. [source] Entrapped Bonded Hydrogen in a Fullerene: the Five-Atom Cluster Sc3CH in C80CHEMPHYSCHEM, Issue 4 2007Matthias Krause Dr. Abstract The synthesis and characterisation of the new endohedral cluster fullerene Sc3CH@C80 is reported. The encapsulation of the first hydrocarbon cluster inside a fullerene was achieved by the arc burning method in a reactive CH4 atmosphere. The extensive characterisation by mass spectrometry (MS), high- pressure liquid chromatography (HPLC), 45Sc NMR, electron spin resonance (ESR), UV/Vis-NIR and Raman spectroscopy provided the experimental evidence for the caging of the five-atom Sc3CH cluster inside the C80 cage isomer with icosahedral symmetry. The proposed new structure was confirmed by DFT calculations, which gave a closed shell and large energy gap structure. Thus a pyramidal Sc3CH cluster and the Ih -C80 cage were shown to be the most stable configuration for Sc3CH@C80 whereas alternative structures give a smaller bonding energy as well as a smaller energy gap. [source] Synthesis and Characterization of the D5h Isomer of the Endohedral Dimetallofullerene Ce2@C80: Two-Dimensional Circulation of Encapsulated Metal Atoms Inside a Fullerene CageCHEMISTRY - A EUROPEAN JOURNAL, Issue 37 2009Michio Yamada Dr. Abstract Herein we show the synthesis and characterization of the second known Ce2@C80 isomer. A 13C,NMR spectroscopic study revealed that the structure of the second isomer has D5h symmetry. Paramagnetic NMR spectral analysis and theoretical calculation display that the encapsulated Ce atoms circulate two-dimensionally along a band of ten contiguous hexagons inside a D5h -C80 cage, which is in sharp contrast to the three-dimensional circulation of two Ce atoms in an Ih -C80 cage. The electronic properties were revealed by means of electrochemical measurements. The D5h isomer of Ce2@C80 has a much smaller HOMO,LUMO gap than cluster fullerenes (M3N@C80, M=Sc, Tm, and Lu) with the same D5h -C80 cages. The chemical reactivity was investigated by using disilirane as a chemical probe. The high thermal reactivity toward 1,1,2,2-tetramesityl-1,2-disilirane is consistent with the trends of the redox potentials and the lower LUMO level of the D5h isomer of Ce2@C80 compared with that of C60. [source] | ||||||||||