The C S2 O+ ion and C S2 O molecule were prepared and structurally characterized by mass spectrometric techniques as isolated species in the gas phase. The theoretical analysis, performed by B3LYP and CCSD(T) computational methods, predicted different C S2 O+ isomers, SSC O+, O (C S2) +, SCS O+, SCO S+ and S (COS)+, and structurally related singlet and triplet C S2 O. Experiment and theory agree in identifying the obtained C S2 O+ ions as a mixture of SCS O+ and SCO S+ isomers. C S2 O neutral species, prepared by neutralization- reionization mass spectrometry, were directly characterized as intact, long-lived species with a lifetime τ≥2 μs.
CS2O+ and CS2O in the gas phase: an experimental and computational study
ROSI, Marzio
2005
Abstract
The C S2 O+ ion and C S2 O molecule were prepared and structurally characterized by mass spectrometric techniques as isolated species in the gas phase. The theoretical analysis, performed by B3LYP and CCSD(T) computational methods, predicted different C S2 O+ isomers, SSC O+, O (C S2) +, SCS O+, SCO S+ and S (COS)+, and structurally related singlet and triplet C S2 O. Experiment and theory agree in identifying the obtained C S2 O+ ions as a mixture of SCS O+ and SCO S+ isomers. C S2 O neutral species, prepared by neutralization- reionization mass spectrometry, were directly characterized as intact, long-lived species with a lifetime τ≥2 μs.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
