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The photoelectron spectrum of F2CS and fluorine substition shifts

1972; Elsevier BV; Volume: 17; Issue: 2 Linguagem: Inglês

10.1016/0009-2614(72)87057-x

1873-4448

Harold W. Kroto, Roger J. Suffolk,

Atmospheric Ozone and Climate

The photoelectron spectrum of thiocarbonyl fluoride, F2CS, has been observed on the pyrolysis of tetrafluoro 1,3 dithietane. The spectrum of the parent compound has also been measured. The spectrum was found to consist of several strong bands, four of which show well resolved simple vibrational structure. The first band has an adiabatic IP of 10.45 +- 0.01 eV and has been assigned to the ionization of the sulphur 3p [b2] electron. The second band which has an adiabatic IP of 11.34 +- 0.01 eV has been assigned to the ionisation of an electron from the carbon- sulphur π [b1] bonding orbital. Correlation of these results with corresponding observations in thioformaldehyde indicates that fluorine substitution stabilizes the [b2] orbital with very little effect on the [b1]. This type of behaviour has also been observed in H2CO and F2CO. That the spectrum belongs to F2CS has been confirmed by characterization of the microwave spectrum of this species under identical experimental conditions.