The sulphur 2p photoabsorption spectrum of NSF3

Citation
A. Jurgensen et al., The sulphur 2p photoabsorption spectrum of NSF3, CHEM PHYS, 247(3), 1999, pp. 445-452
Citations number
21
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS
ISSN journal
03010104 → ACNP
Volume
247
Issue
3
Year of publication
1999
Pages
445 - 452
Database
ISI
SICI code
0301-0104(19990901)247:3<445:TS2PSO>2.0.ZU;2-P
Abstract
The high resolution sulphur 2p photoabsorption spectrum of gaseous NSF3 has been measured using synchrotron radiation. Assignment of the pre-edge spec tral features was accomplished with the aid of ab initio GSCF3 configuratio n interaction calculations. Similar to the isoelectronic OPF3 and other pyr amidal phosphorus compounds there exist two states which are best described as LS coupled because of a very large core-valence electron exchange. The post-edge features, corresponding to outer well p and d shape resonances, w ere assigned with the aid of X alpha calculations, (C) 1999 Published by El sevier Science B.V. All rights reserved.