ISSN:
1572-8862
Keywords:
Fullerenes
;
silaballs
;
heteroclusters
Source:
Springer Online Journal Archives 1860-2000
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
,
Physics
Notes:
Abstract A computational study of 60-atom clusters having the general formula @C60-n Si n (n=1, 2, and 12) is presented. Based on total energies and calculated enthalpies of formation, the incorporation of silicon into buckminsterfullerene frameworks is destabilizing, but not prohibitively so. The synthesis of these “silaballs” by controlled pyrolysis of C6H6 mixed with compatible organosilicon compounds is considered. For the @C58Si2 system theortho (Si-Si bonded) isomer is less stable by about 40 kcal/mol than others in which the heteroatoms are separated.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00702717
