UPS of Buckminsterfullerene and other large clusters of carbon

作者: S.H. Yang , C.L. Pettiette , J. Conceicao , O. Cheshnovsky , R.E. Smalley

DOI: 10.1016/0009-2614(87)80548-1

关键词: Photoemission spectroscopyInorganic compoundCarbonMolecular physicsBuckminsterfullereneElectronic structureSpectral lineNuclear magnetic resonanceCluster (physics)Electron affinityChemistry

摘要: Abstract Ultraviolet photoelectron spectra (UPS) are reported for mass-selected negative carbon clusters extracted from a pulsed supersonic beam. In the size range 48 to 84 atoms, three were found be closed-shell species with appreciable HOMO-LUMO gaps: C 50 (0.3–0.6 eV), 60 (1.5–2.0 and 70 (0.7–1.2 eV). UPS data all other revealed no gap, indicating they either open-shell species, or small gaps. Buckminsterfullerene (C ) was have lowest electron affinity (2.6–2.8 eV) of any cluster. Agreement between these electronic structure calculations strongly support spheroidal shell model .

参考文章(40)
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
P.W. Fowler, J. Woolrich, π-Systems in three dimensions Chemical Physics Letters. ,vol. 127, pp. 78- 83 ,(1986) , 10.1016/S0009-2614(86)80212-3
L.A. Bloomfield, M.E. Geusic, R.R. Freeman, W.L. Brown, Negative and positive cluster ions of carbon and silicon Chemical Physics Letters. ,vol. 121, pp. 33- 37 ,(1985) , 10.1016/0009-2614(85)87149-9
Q. L. Zhang, S. C. O'Brien, J. R. Heath, Y. Liu, R. F. Curl, H. W. Kroto, R. E. Smalley, Reactivity of large carbon clusters: spheroidal carbon shells and their possible relevance to the formation and morphology of soot The Journal of Physical Chemistry. ,vol. 90, pp. 525- 528 ,(1986) , 10.1021/J100276A001
Doreen G. Leopold, Joe Ho, W. C. Lineberger, Photoelectron spectroscopy of mass-selected metal cluster anions. I. Cu−n, n=1–10 Journal of Chemical Physics. ,vol. 86, pp. 1715- 1726 ,(1987) , 10.1063/1.452170
Y. Liu, S.C. O'Brien, Q. Zhang, J.R. Heath, F.K. Tittel, R.F. Curl, H.W. Kroto, R.E. Smalley, Negative carbon cluster ion beams: New evidence for the special nature of C60 Chemical Physics Letters. ,vol. 126, pp. 215- 217 ,(1986) , 10.1016/S0009-2614(86)80042-2
Hans Peter Lüthi, Jan Almlöf, AB initio studies on the thermodynamic stability of the icosahedral C60 molecule “buckminsterfullerene” Chemical Physics Letters. ,vol. 135, pp. 357- 360 ,(1987) , 10.1016/0009-2614(87)85171-0
A.D.J. Haymet, C120 and C60: Archimedean solids constructed from sp2 hybridized carbon atoms Chemical Physics Letters. ,vol. 122, pp. 421- 424 ,(1985) , 10.1016/0009-2614(85)87239-0
Marshall D. Newton, Richard E. Stanton, Stability of buckminsterfullerene and related carbon clusters Journal of the American Chemical Society. ,vol. 108, pp. 2469- 2470 ,(1986) , 10.1021/JA00269A068
T.G. Schmalz, W.A. Seitz, D.J. Klein, G.E. Hite, C60 carbon cages Chemical Physics Letters. ,vol. 130, pp. 203- 207 ,(1986) , 10.1016/0009-2614(86)80455-9