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Issue 11, 2000
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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

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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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Publication details

The article was received on 03 Apr 2000, accepted on 20 Apr 2000 and first published on 11 May 2000


Article type: Communication
DOI: 10.1039/B002625P
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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