THEORETICAL-STUDY OF THE 5,6-BENZOFLAVYLIUM CHROMOPHORE

Authors
AMIC D DAVIDOVICAMIC D TRINAJSTIC N
Citation
D. Amic et al., THEORETICAL-STUDY OF THE 5,6-BENZOFLAVYLIUM CHROMOPHORE, Gazzetta chimica italiana, 124(4), 1994, pp. 163-166
Citations number
18
Categorie Soggetti
Chemistry
Journal title
Gazzetta chimica italiana → ACNP
ISSN journal
00165603
Volume
124
Issue
4
Year of publication
1994
Pages
163 - 166
Database
ISI
SICI code
0016-5603(1994)124:4<163:TOT5C>2.0.ZU;2-E
Abstract
Reactivity and aromatic stability of the 5,6-benzoflavylium chromophor e are predicted using standard HMO calculations and the concept of har dness. Electronic spectra are calculated using the PPP method. Several model compounds are proposed, which are expected to exhibit high stab ility and low reactivity and whose solutions should be red.