ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Under normal circumstances, when covalent molecules form, electrons are exchanged between atoms to form bonds. However, experiment and theoretical computations reveal exactly the opposite effect for the formation of group V elements nitrogen and phosphorous encapsulated within a buckminsterfullerene molecule. The C60 carbon cage remains intact upon encapsulation of the atom, whereas the electronic charge cloud of the N or P atom contracts. We have studied the chemical, spin, and thermodynamic properties of endohedral phosphorous (P@C60) and have compared our results with earlier findings for N@C60. From a combined experimental and theoretical vantage, we are able to elucidate a model for the interaction between the trapped group V atom and the fullerene cage. A picture emerges for the electronic structure of these complexes, whereby an atom is trapped within a fullerene, and interacts weakly with the molecular orbitals of the C60 cage. © 2002 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.1468643
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