scholarly journals Photoelectron Spectra and Molecular Properties. LIII. Methyl-substituent Effects on the Hexatriene pi System.

1975 ◽  
Vol 29a ◽  
pp. 827-832 ◽  
Author(s):  
E. E. Astrup ◽  
H. Bock ◽  
K. Wittel ◽  
P. Heimbach ◽  
Ulf Skoglund
1975 ◽  
Vol 30 (11-12) ◽  
pp. 862-874 ◽  
Author(s):  
K. Wittel ◽  
E. E. Astrup ◽  
H. Bock ◽  
G. Graeffe ◽  
H. Juslén

Photoelectron (PE) spectra of ethylene and vinylene carbonates and thiocarbonates as well as of methylene trithiocarbonate and some open-chain derivatives are reported.The low energy bands, well separated in the unsaturated compounds, are assigned to lone pair and π type ionizations. The assignment is based on comparison of PE spectra, modified CNDO calculations, and sulfur Κβ emission spectra. The pronounced substituent effects due to which the first ionization potential varies from 8.4 eV to 11.1 eV are discussed.


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