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The He 584 Å Photoelectron Spectra of Analoga of Thiathiophthene
Author(s) -
Gleiter Rolf,
Gygax Ruedi,
Reid David H.
Publication year - 1975
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19750580612
Subject(s) - cndo/2 , chemistry , ionization , spectral line , molecular orbital , atomic orbital , nitrogen , ionization energy , atomic physics , computational chemistry , molecule , ion , organic chemistry , electron , physics , quantum mechanics , astronomy
The photoelectron spectra of the four oxygen and nitrogen analogs of thiathiophthene 1 to 4 are reported and discussed. The first two bands are assigned to ionization from the π‐ and n‐molecular orbitals on the basis of CNDO/2 calculations. The assignment of bands and to ionization from π‐molecular orbitals is suggested.