Structural and electronic properties of PFOS and LiPFOS

Authors
Erkoc, S Erkoc, F
Citation
S. Erkoc et F. Erkoc, Structural and electronic properties of PFOS and LiPFOS, J MOL ST-TH, 549(3), 2001, pp. 289-293
Citations number
11
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
549
Issue
3
Year of publication
2001
Pages
289 - 293
Database
ISI
SICI code
0166-1280(20010813)549:3<289:SAEPOP>2.0.ZU;2-T
Abstract
The structural and electronic properties of perfluorinated surfactants perf luorooctane sulfonate (PFOS) and lithium perfluorooctane sulfonate (LiPFOS) have been investigated theoretically by performing semi-empirical molecula r orbital theory at the level of AM I calculations. The optimized structure and the electronic properties of the molecules are obtained. (C) 2001 Else vier Science BN. All rights reserved.