Free energies correlation of phenyldiindolylmethanes

Citation
Jg. Garcia-estrada et al., Free energies correlation of phenyldiindolylmethanes, AFINIDAD, 57(488), 2000, pp. 273-278
Citations number
11
Categorie Soggetti
Chemistry
Journal title
AFINIDAD
ISSN journal
00019704 → ACNP
Volume
57
Issue
488
Year of publication
2000
Pages
273 - 278
Database
ISI
SICI code
0001-9704(200007/08)57:488<273:FECOP>2.0.ZU;2-0
Abstract
This is the study of free energies correlation for a series of meta and par e R-phenyldiindolylmethanes. In this study, spectroscopic data ((RMHH)-H-1 and mass spectrometry) and some electronic properties obtained with AM1 met hod were compared. Important changes in the electronic properties and in th e chemical shifts could be observed, due to the existence of substituent. F our linear relationships among the Hammett constant (sigma) with two electr onic properties (lonization potential and electronic density of H alpha) an d two spectroscopic properties (chemical shift of H alpha and Mc Lafferty r elation) could be obtained.