Endohedral effect in inclusion complexes of the C60 cluster
作者： Jerzy Cioslowski , Asiri Nanayakkara
DOI: 10.1063/1.462288
关键词:
摘要: An approximate theory of bonding in endohedral complexes that are formed by atoms, ions, and molecules trapped inside the C60 cage is formulated. It found electrostatic potential at center (the potential) determines such electronic properties as complexation energy, ionization potentials, stability with respect to internal electron transfer. The origins effect, i.e., positive valuedness potential, investigated help Thomas–Fermi theory. theoretical predictions demonstrated be good agreement numerical results ab initio structure calculations.
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H. W. Kroto, J. R. Heath, S. C. O’Brien, R. F. Curl, R. E. Smalley, C 60 : Buckminsterfullerene Nature. ,vol. 318, pp. 162- 163 ,(1985) , 10.1038/318162A0
Eduardo V. Ludeña, Eugene S. Kryachko, Energy Density Functional Theory of Many-Electron Systems ,(1990)
T Koopmans, Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms Physica D: Nonlinear Phenomena. ,vol. 1, pp. 104- 113 ,(1934) , 10.1016/S0031-8914(34)90011-2
Jerzy Cioslowski, Endohedral chemistry: electronic structures of molecules trapped inside the C60 cage Journal of the American Chemical Society. ,vol. 113, pp. 4139- 4141 ,(1991) , 10.1021/JA00011A013
Mark M. Ross, John H. Callahan, Formation and characterization of carbon mol.-helium (C60He+) The Journal of Physical Chemistry. ,vol. 95, pp. 5720- 5723 ,(1991) , 10.1021/J100168A004
Jerzy Cioslowski, Eugene D. Fleischmann, Endohedral complexes: Atoms and ions inside the C60 cage Journal of Chemical Physics. ,vol. 94, pp. 3730- 3734 ,(1991) , 10.1063/1.459744
Agnes H. H. Chang, Walter C. Ermler, Russell M. Pitzer, The ground and excited states of C60M and C60M+ (M=O, F, K, Ca, Mn, Cs, Ba, La, Eu, U) The Journal of Chemical Physics. ,vol. 94, pp. 5004- 5010 ,(1991) , 10.1063/1.460535
Ralph G. Pearson, Absolute Electronegativity and Hardness: Application to Inorganic Chemistry Inorganic Chemistry. ,vol. 27, pp. 734- 740 ,(1988) , 10.1021/IC00277A030
Thomas Weiske, Diethard K. Böhme, Jan Hrušák, Wolfgang Krätschmer, Helmut Schwarz, Endohedral Cluster Compounds: Inclusion of Helium within C60•⊕ and C70•⊕ through Collision Experiments Angewandte Chemie International Edition in English. ,vol. 30, pp. 884- 886 ,(1991) , 10.1002/ANIE.199108841
W. Krätschmer, Lowell D. Lamb, K. Fostiropoulos, Donald R. Huffman, Solid C60: a new form of carbon Nature. ,vol. 347, pp. 354- 358 ,(1990) , 10.1038/347354A0