C-2 binding energy in C-60

Authors
Citation
C. Lifshitz, C-2 binding energy in C-60, INT J MASS, 198(1-2), 2000, pp. 1-14
Citations number
75
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
ISSN journal
13873806 → ACNP
Volume
198
Issue
1-2
Year of publication
2000
Pages
1 - 14
Database
ISI
SICI code
1387-3806(20000414)198:1-2<1:CBEIC>2.0.ZU;2-2
Abstract
This article reviews, on the basis of mass spectrometric experiments, the c urrent status concerning the C-2 binding energy or evaporation energy in C- 60, D(C-58-C-2)= Delta E-vap(C-60). Kinetic energy release distributions, t ime-resolved metastable fractions, breakdown curves, and thermionic emissio n rates all point to Delta E-vap(C-60(+)) greater than or equal to 9.5 eV a nd Delta E-vap(C-60) greater than or equal to 10 eV. These results are in a greement with high-level ab initio density functional theory calculations a nd with expectations from the known heats of formation of C-60, C-70, and C -2. The C-2 evaporation is characterized by a very loose transition state w ith a pre-exponential factor close to the calculated upper limit. (C) 2000 Elsevier Science B.V.