Palmer, M. H.’s team published research in Chemical Physics in 111 | CAS: 63598-71-0

Chemical Physics published new progress about 63598-71-0. 63598-71-0 belongs to triazoles, auxiliary class Triazole, name is 4H-1,2,4-Triazole, and the molecular formula is C2H3N3, Application of 4H-1,2,4-Triazole.

Palmer, M. H. published the artcileAssignment of the UV photoelectron spectra of the azoles by ab initio multi-reference configuration interaction calculations, Application of 4H-1,2,4-Triazole, the publication is Chemical Physics (1987), 111(2), 249-61, database is CAplus.

Ab initio multiref. CI calculations were performed on pyrrole, pyrazole, imidazole, each of the triazoles, and tetrazole. The tautomerism of these species is discussed, and the UPS were reinterpreted in the light of the CI data. Many shake-up states were evident ≳14 eV; these can cause difficulties in the positioning of LPN states by CI methods.

Chemical Physics published new progress about 63598-71-0. 63598-71-0 belongs to triazoles, auxiliary class Triazole, name is 4H-1,2,4-Triazole, and the molecular formula is C2H3N3, Application of 4H-1,2,4-Triazole.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics