Successive protonation of phosphate (PO43-), thiophosphate (PSO33-), and selenophosphate (PSeO33-)

Authors
Vank, JC Henry-Riyad, H Csizmadia, IG
Citation
Jc. Vank et al., Successive protonation of phosphate (PO43-), thiophosphate (PSO33-), and selenophosphate (PSeO33-), J MOL ST-TH, 504, 2000, pp. 267-286
Citations number
26
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
504
Year of publication
2000
Pages
267 - 286
Database
ISI
SICI code
0166-1280(20000612)504:<267:SPOP(T>2.0.ZU;2-8
Abstract
The effect of replacing oxygen with sulphur and selenium has been investiga ted in terms of successive protonation of phosphate (PO43(-)), thiophosphat e (SPO33(-)), and selenophosphate (SePO33(-)). Ab initio conformational ana lysis has been performed on the partially protonated HPO42(-), HPSO32(-), H PSeO32(-), as well as on H2PO4(-), H2PSO3(-), and H2PSeO3(-), and fully pro tonated species. Topological analysis of the electron density has been perf ormed by Bader's Atoms in Molecule (AIM) approach. (C) 2000 Elsevier Scienc e B.V. All rights reserved.