ACIDITY OF ZEOLITES AND SILANOLS - STUDY OF THE INFLUENCE OF SIZE ANDSOFTNESS OF THE GLOBAL SYSTEM ON THE ELECTRONEGATIVITY-SOFTNESS COMPETITION IN HALOGENATED MODEL SYSTEMS

Authors
DAMOUN S LANGENAEKER W GEERLINGS P
Citation
S. Damoun et al., ACIDITY OF ZEOLITES AND SILANOLS - STUDY OF THE INFLUENCE OF SIZE ANDSOFTNESS OF THE GLOBAL SYSTEM ON THE ELECTRONEGATIVITY-SOFTNESS COMPETITION IN HALOGENATED MODEL SYSTEMS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(37), 1997, pp. 6951-6954
Citations number
26
Categorie Soggetti
Chemistry Physical
Journal title
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory → ACNP
ISSN journal
10895639
Volume
101
Issue
37
Year of publication
1997
Pages
6951 - 6954
Database
ISI
SICI code
1089-5639(1997)101:37<6951:AOZAS->2.0.ZU;2-M
Abstract
The influence of halogenating Si in zeolite type model systems (SiH3-n Fn-OH-AlH3 and SiH3-nCln-OH-AlH3 with n=0, 1, 2, and 3) and silanols ( SiH3-nFn-OH and SiH3-nCln-OH with n=0, 1, 2, and 3) was investigated b y calculating different properties of the hydroxyl group (IR frequenci es, integrated IR intensities) and comparing these with gas-phase acid ities, Delta G(acid). The trends in these quantities are explained in terms of the competition between electronegativity and softness as a f unction of the systems considered. The results of this competition are reflected in the electronic charges on the hydrogen and oxygen in the hydroxyl group and compared to previously reported trends for halogen ated silanols.