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Photoelectron spectra of 1,4-dithiin and related compounds

Authors
Journal
Journal of Electron Spectroscopy and Related Phenomena
0368-2048
Publisher
Elsevier
Publication Date
Volume
18
Issue
1
Identifiers
DOI: 10.1016/0368-2048(80)80007-7

Abstract

Abstract The photoelectron (He(I)) spectra of 1,4-dithiin ( 1), 1,4-thiaselenin ( 2), 1,4-thiatellurin ( 3) and 4H-thiopyran ( 4) were assigned by comparison with published spectra of similar compounds and with the help of ab initio and semi-empirical calculations. The proposed orbital sequences for the outermost orbitals are π 4, π 3, π 2, σ for 1, 2 and 3, and π 4, π 2, σ, π 3 for 4. π 4 and π 3 correspond to the symmetric and antisymmetric combinations, respectively, of the heteroatom lone pairs, while π 2 is the antisymmetric combination of the π eth orbitals.

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