THEORETICAL CHARACTERIZATION OF C70CL10 - THE ROLE OF 1,4-ADDITION ACROSS HEXAGONAL RINGS

Authors
AUSTIN SJ FOWLER PW SANDALL JPB BIRKETT PR AVENT AG DARWISH AD KROTO HW TAYLOR R WALTON DRM
Citation
Sj. Austin et al., THEORETICAL CHARACTERIZATION OF C70CL10 - THE ROLE OF 1,4-ADDITION ACROSS HEXAGONAL RINGS, Perkin transactions. 2, (6), 1995, pp. 1027-1028
Citations number
10
Categorie Soggetti
Chemistry Physical","Chemistry Inorganic & Nuclear
Journal title
Perkin transactions. 2 → ACNP
ISSN journal
03009580
Issue
6
Year of publication
1995
Pages
1027 - 1028
Database
ISI
SICI code
0300-9580(1995):6<1027:TCOC-T>2.0.ZU;2-Z
Abstract
Four isomeric structures of decachloro [70]fullerene are compatible wi th the C-13 NMR spectrum and qualitative stability rules; explicit cal culation at the semi-empirical level shows the most stable isomer to b e that which maximises the number of 1,4-chlorine additions whilst exc luding double bonds from pentagons.