Twisted C=C Double Bonds with Very Low Rotational Barriers in Dioxanediones and Isoxazolones Determined by Low-Temperature Dynamic NMR Spectroscopy and Computational Chemistry

2016 ◽  
Vol 2016 (29) ◽  
pp. 4985-4990 ◽  
Author(s):  
Curt Wentrup ◽  
Rainer Koch ◽  
Erich Kleinpeter
Keyword(s):  
Nmr Spectroscopy ◽  
Low Temperature ◽  
Computational Chemistry ◽  
Dynamic Nmr ◽  
Double Bonds ◽  
Rotational Barriers ◽  
Dynamic Nmr Spectroscopy ◽  
Temperature Dynamic

The influence of electronic modifications on rotational barriers of bis-NHC-complexes as observed by dynamic NMR spectroscopy

2013 ◽  
pp. n/a-n/a ◽  
Author(s):  
Andreas Kolmer ◽  
Lukas Kaltschnee ◽  
Volker Schmidts ◽  
Lars H. Peeck ◽  
Herbert Plenio ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Dynamic Nmr ◽  
Rotational Barriers ◽  
Dynamic Nmr Spectroscopy

scholarly journals Über die Konformation yon 1.2.4.5-Tetrathian / On the Conformation of 1,2,4,5-Tetrathiane

1982 ◽  
Vol 37 (2) ◽  
pp. 234-235 ◽  
Author(s):  
Rudy Susilo ◽  
Rolf Gmelin
Keyword(s):  
Experimental Data ◽  
Nmr Spectroscopy ◽  
Force Field ◽  
Excellent Agreement ◽  
Dynamic Nmr ◽  
Force Field Calculations ◽  
Chair Form ◽  
Dynamic Nmr Spectroscopy ◽  
Twist Form

Abstract The conformation of 1,2,4,5-tetrathian was determined by means of dynamic NMR spectroscopy. The barrier (ilG+) of the chair/twist equilibration is 14.5 kcal/mol and the chair form is more stable than the twist form in this molecule by 1.4 kcal/mol. These experimental data are in excellent agreement with force field calculations

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