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Structure and charge distribution of multiply charged C70

✍ Scribed by Emil Roduner; Ivan D. Reid

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
582 KB
Volume
223
Category
Article
ISSN
0009-2614

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✦ Synopsis

Spin-restricted Hartree-Fock molecular orbitals calculations have been performed for Ck ( -6 d n Q + 6) at a MNDO type semi-empirical level based on the PM3 parameterization. The optimized geometries reveal interesting variations in bond lengths. The neutral molecule and the triplet states of the two ions with n = +_ 4 have DSb symmetry, the other ions have lower symmetry. Significant charge polarization results in molecular electric quadrupole moments. The consequences of structure and of charge distribution with respect to selectivity towards chemical reaction and to packing in the solid state are discussed.

πŸ“œ SIMILAR VOLUMES

Production and stability of multiply cha
Production and stability of multiply charged C60 and C70 fullerene ions
✍ C.W. Walter; Y.K. Bae; D.C. Lorents; J.R. Peterson πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 745 KB

The stability of multiply charged CsO and &, fullerene ions has been investigated through studies of charge transfer reactions with Cs at l-2 keV energies. A simple electron impact ion source is used to produce surprisingly intense beams of C$ , CM, C&? , C:,+ , and C&+ Fragmentation of C3+ 60 and C