Phosphaethene, the unstable parent compound in the phosphaalkenes series, has been thoroughly investigated using theoretical calculations. For the first time, its electronic structure is evidenced from its photoelectron spectrum. The P E spectra of phosphaethene and 1 -phosphapropene, generated in the gas phase by the respective vacuum dehydrochlorination of chloromethylphosphine and I-chloroethylphosphine, have been recorded in situ by the use of a vacuum device directly coupled to the spectrophotometer. T h e vertical rW and np ionization energies are observed respectively a t 10.30 and 10.70 eV for phosphaethene and a t 9.75 and 10.35 eV for I-phosphapropene. The band's characterizations are discussed through correlations with the corresponding imines and with substituted phosphaalkenes and are confirmed by a b initio theoretical calculations.T h e results indicate a rather significant energetic separation between the two first rWc and np ionic states.
For the first time the electronic structure of phosphaethene (CH2=PH), the unstable parent compound in the phosphaalkene series, is deduced from its photoelectron spectrum.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.