Issue 11, 2000
From the journal:

Physical Chemistry Chemical Physics

FP[double bond, length half m-dash]S in the gas-phase: Detection by rotationally resolved infrared and millimetre-wave spectra assisted by ab-initio calculations

Helmut Beckers,a   Marcel Bogey,b   Jürgen Breidung,c   Hans Bürger,*a   Pascal Dréan,b   Peter Paplewski,a   Walter Thielc  and  Adam Waltersb  

* Corresponding authors

a Anorganische Chemie, FB 9, Uniersität-GH, Wuppertal, Germany
E-mail: buerger1@uni-wuppertal.de
Fax: Fax: +49 202 439 2901

b Physique des Lasers, Atomes et Molécules, CERLA, Uniersité de Lille 1, Villeneue d'Ascq Cedex, France
E-mail: marcel.bogey@univ-lille1.fr
Fax: Fax: +33 320 43 4084

c Max-Planck-Institut für Kohlenforschung, Mülheim, Germany
E-mail: thiel@mpi-muelheim.mpg.de
Fax: Fax: +49 208 306 2996

Abstract

Pyrolysis of F2PSPF2 at about 1400°C in Ar flow provides a new and practical method for synthesising short-lived FP[double bond, length half m-dash]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 [italic v (to differentiate from Times ital nu)]1=1 vibrational state. From the MMW data it was possible to calculate precise ground state parameters up to the sextic centrifugal distortion terms.

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Article information

DOI
https://doi.org/10.1039/B002625P
Article type
Communication
Submitted
03 Apr 2000
Accepted
20 Apr 2000
First published
11 May 2000

Phys. Chem. Chem. Phys., 2000,2, 2467-2469

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FP[double bond, length half m-dash]S in the gas-phase: Detection by rotationally resolved infrared and millimetre-wave spectra assisted by ab-initio calculations

H. Beckers, M. Bogey, J. Breidung, H. Bürger, P. Dréan, P. Paplewski, W. Thiel and A. Walters, Phys. Chem. Chem. Phys., 2000, 2, 2467 DOI: 10.1039/B002625P

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