SPECTROMETRY AND REACTIVITY OF BENZANTHRENYL AND 1-HYDROPERYLENYL ANIONS

Citation
Jtm. Vandijk et al., SPECTROMETRY AND REACTIVITY OF BENZANTHRENYL AND 1-HYDROPERYLENYL ANIONS, Tetrahedron, 52(7), 1996, pp. 2647-2662
Citations number
22
Categorie Soggetti
Chemistry Inorganic & Nuclear
Journal title
ISSN journal
00404020
Volume
52
Issue
7
Year of publication
1996
Pages
2647 - 2662
Database
ISI
SICI code
0040-4020(1996)52:7<2647:SAROBA>2.0.ZU;2-Z
Abstract
Charge distribution and reactivity of benzanthrenyl (1(-)) and 1-methy l-1-hydroperylenyl anion (2(-)) are examined by means of semiempirical calculations, NMR spectroscopy and reactions with electrophiles. High est charge density and reactivity are located at position 7 of 1(-) an d the comparable position 12b of 2(-). A small degree of reactivity is located at positions 4 and 6 of 1(-), as shown by reactions. Generall y, a good correlation between calculated charge distribution and charg e distribution obtained from C-13 NMR is observed.