Evidence for size-dependent electron delocalization in the ionization potentials of lithium monocarbide clusters

Citation
P. Lievens et al., Evidence for size-dependent electron delocalization in the ionization potentials of lithium monocarbide clusters, CHEM P LETT, 302(5-6), 1999, pp. 571-576
Citations number
28
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
302
Issue
5-6
Year of publication
1999
Pages
571 - 576
Database
ISI
SICI code
0009-2614(19990326)302:5-6<571:EFSEDI>2.0.ZU;2-M
Abstract
Lithium clusters doped with carbon atoms are studied by threshold photoioni zation spectroscopy and ionization potentials are deduced for LinC (n less than or equal to 70). The evolution of the ionization potentials with size shows distinct steps at n = 24 and n = 44, suggesting metallic behavior wit h n - 4 free electrons in the larger clusters. Deviations from the metal-li ke behavior for the size range n<16 suggest a structural transition from ri gid structures with localized electron orbitals towards segregated molecula r-metallic systems for increasing size. (C) 1999 Elsevier Science B.V. All rights reserved.