English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
Add to Basket
  Local TagsRelease HistoryDetailsSummary

Released
Journal Article

FP=S in the gas-phase: Detection by rotationally resolved infrared and millimetre-wave spectra assisted by ab-initio calculations

MPS-Authors
/persons/resource/persons58454

Breidung,  Jürgen
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

/persons/resource/persons59045

Thiel,  Walter
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

External Resource
No external resources are shared
Fulltext (restricted access)
There are currently no full texts shared for your IP range.
Fulltext (public)
There are no public fulltexts stored in PuRe
Supplementary Material (public)
There is no public supplementary material available
Citation

Beckers, H., Bogey, M., Breidung, J., Bürger, H., Dréan, P., Paplewski, P., et al. (2000). FP=S in the gas-phase: Detection by rotationally resolved infrared and millimetre-wave spectra assisted by ab-initio calculations. Physical Chemistry Chemical Physics, 2(11), 2467-2469. doi:10.1039/B002625P.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0024-286A-C
Abstract
Pyrolysis of F2PSPF2 at about 1400 °C in Ar flow provides a new and practical method for synthesising short-lived FP=S (with side product PF3). Cooperation between infrared and millimetre-wave (MMW) spectroscopy assisted by reliable ab-initio calculations at the MP2 and CCSD(T) levels has led to the gas-phase detection of this elusive species and enabled its spectral characterisation. The excellent agreement of all methods confirms the identification. The IR data provide parameters for the v1 = 1 vibrational state. From the MMW data it was possible to calculate precise ground state parameters up to the sextic centrifugal distortion terms.