Theory and application of photoelectron spectroscopy. 27. Inductive effect of a carbonyl group. Electronic structure of [5]annulenones

1974 ◽  
Vol 96 (1) ◽  
pp. 279-280 ◽  
Author(s):  
W. Schaefer ◽  
A. Schweig ◽  
G. Maier ◽  
T. Sayrac
1980 ◽  
Vol 58 (16) ◽  
pp. 1659-1665 ◽  
Author(s):  
David C. Frost ◽  
Nicholas P. C. Westwood ◽  
Nick H. Werstiuk

HeI photoelectron spectra are reported for a series of methyl-substituted monoketones and diketones based on 2-norbornanone. The effect of methyl substitution, and the inductive effect of a second carbonyl group has been studied. The diketones show a small separation between the two ketone moieties due to a through-bond interaction. Replacement with a thiocarbonyl group permits a comparison of the relative C=S and C=O interactions. The relative merits of the semi-empirical HAM/3 and CNDO/2 methods for such molecules are assessed.


2004 ◽  
Vol 70 (20) ◽  
Author(s):  
T. Durakiewicz ◽  
J. J. Joyce ◽  
G. H. Lander ◽  
C. G. Olson ◽  
M. T. Butterfield ◽  
...  

2000 ◽  
Vol 447 (1-3) ◽  
pp. 112-116 ◽  
Author(s):  
I.N. Shabanova ◽  
V.I. Kormilets ◽  
L.D. Zagrebin ◽  
N.S. Terebova

1988 ◽  
Vol 99 (1-2) ◽  
pp. 317-320 ◽  
Author(s):  
R. Zehringer ◽  
P. Oelhafen ◽  
H.-J. Güntherodt ◽  
Y. Yamada ◽  
U. Mizutani

2011 ◽  
Vol 115 (23) ◽  
pp. 6239-6249 ◽  
Author(s):  
Stephan Thürmer ◽  
Robert Seidel ◽  
Bernd Winter ◽  
Milan Ončák ◽  
Petr Slavíček

1995 ◽  
Vol 7 (40) ◽  
pp. 7741-7760 ◽  
Author(s):  
H E Brauer ◽  
H I Starnberg ◽  
L J Holleboom ◽  
H P Hughes

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