BONDING AND DELOCALIZATION IN C-60 VIA TOPOGRAPHICAL ANALYSIS OF THE ELECTROSTATIC POTENTIAL AND ELECTRON-DENSITY

Authors
CLAXTON TA SHIRSAT RN GADRE SR
Citation
Ta. Claxton et al., BONDING AND DELOCALIZATION IN C-60 VIA TOPOGRAPHICAL ANALYSIS OF THE ELECTROSTATIC POTENTIAL AND ELECTRON-DENSITY, Journal of the Chemical Society, Chemical Communications, (6), 1994, pp. 731-732
Citations number
18
Categorie Soggetti
Chemistry
Journal title
Journal of the Chemical Society, Chemical Communications → ACNP
ISSN journal
00224936
Issue
6
Year of publication
1994
Pages
731 - 732
Database
ISI
SICI code
0022-4936(1994):6<731:BADICV>2.0.ZU;2-W
Abstract
Analysis of the ab initio electron density distribution of C60 show th at all exo bonds to the five-membered rings have partial double-bond c haracter with all molecular electrostatic potential minima located out side the molecular cage.