Conformational Analysis of Biphenyl Derivatives. I. A Novel Steric Constant from the Internal Rotation Rate of 2,2′-Bis-(N-Substituted Carbamoylmethyl)Biphenyl by Means of Dynamic NMR

2000 ◽  
Vol 47 (3) ◽  
pp. 449-454
Author(s):  
Gialih Lin ◽  
Ching-Ing Hwang ◽  
Ju-Yueh Chouhwang ◽  
Hou-Jen Tsai
Keyword(s):  
Conformational Analysis ◽  
Internal Rotation ◽  
Rotation Rate ◽  
Dynamic Nmr ◽  
Steric Constant

Gas-Phase Dynamic NMR Study of the Internal Rotation inN-Trifluoroacetylpyrrolidine

2003 ◽  
Vol 107 (17) ◽  
pp. 3024-3029 ◽  
Author(s):  
Cristina Suarez ◽  
Elisabeth J. Nicholas ◽  
Molly R. Bowman
Keyword(s):  
Gas Phase ◽  
Internal Rotation ◽  
Dynamic Nmr ◽  
Phase Dynamic ◽  
Nmr Study

Conformational analysis of enantiomerization coupled to internal rotation in triptycyl-n-helicenes

2019 ◽  
Vol 21 (21) ◽  
pp. 11395-11404
Author(s):  
Abel Carreras ◽  
Luca Fuligni ◽  
Pere Alemany ◽  
Miquel Llunell ◽  
Josep Maria Bofill ◽  
...  
Keyword(s):  
Potential Energy ◽  
Conformational Analysis ◽  
Potential Energy Surface ◽  
Internal Rotation ◽  
Energy Surface ◽  
Computational Study ◽  
Reaction Coordinate

We present a computational study of a reduced potential energy surface (PES) to describe enantiomerization and internal rotation in three triptycyl-n-helicene molecules, centering the discussion on the issue of a proper reaction coordinate choice.

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