Predicting the reactivity of fluorinated compounds with copper using semi-empirical calculations

Authors
Heaton, CA Miller, AK Powell, RL
Citation
Ca. Heaton et al., Predicting the reactivity of fluorinated compounds with copper using semi-empirical calculations, J FLUORINE, 107(1), 2001, pp. 1-3
Citations number
10
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
JOURNAL OF FLUORINE CHEMISTRY
ISSN journal
00221139 → ACNP
Volume
107
Issue
1
Year of publication
2001
Pages
1 - 3
Database
ISI
SICI code
0022-1139(200101)107:1<1:PTROFC>2.0.ZU;2-4
Abstract
Both electron affinities and LUMO energies have been shown to be useful pre dictors of the reactivity of a series of fluorinated halides with copper. T hey were calculated using the semi-empirical PM3 method. (C) 2001 Elsevier Science B.V. All rights reserved.