Barriers to Rotation in Methyl Formate by Dynamic NMR Spectroscopy and Barriers to 1,3 Oxygen-to-Oxygen Migration in Methyl Formate and Trifluoromethyl Formate by ab Initio Calculations

2001 ◽  
Vol 66 (18) ◽  
pp. 6092-6095 ◽  
Author(s):  
Dalephine Cain ◽  
Diwakar M. Pawar ◽  
MacShelle Stewart ◽  
Harold Billings ◽  
Eric A. Noe
Keyword(s):  
Nmr Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Methyl Formate ◽  
Dynamic Nmr ◽  
Dynamic Nmr Spectroscopy ◽  
Oxygen Migration

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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