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Photoelectron Spectra of Vicinal Tricarbonyls
Author(s) -
Bischof Peter,
Gleiter Rolf,
Hofmann Peter
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.19750580725
Subject(s) - chemistry , vicinal , anhydrous , octane , spectral line , lone pair , atomic orbital , x ray photoelectron spectroscopy , ionization energy , bicyclic molecule , nonane , ionization , crystallography , computational chemistry , electron , stereochemistry , organic chemistry , nuclear magnetic resonance , ion , molecule , physics , quantum mechanics , astronomy
The He I photoelectron spectra of tetramethylcyclopentane‐1,2,3‐trione 1 , 4,4,6,6‐tetramethylcyclohexane‐1,2,3‐trione 2 , bicyclo[1.2.3]octane‐2,3,4‐trione 3 , bicyclo[2.2.3]nonane‐2,3,4‐trione 4 and anhydrous ninhydrine 5 are presented. The assignment of the first two bands is discussed using semiempirical calculations together with a qualitative band shape analysis. It is shown that the first two bands in 1 to 4 are due to the ionization of an electron from lone pair combinations of the 2 p ‐oxygen orbitals.