Premium
Conformational Analysis of Molecular Machines: Internal Rotation and Enantiomerization in Triptycyl[3]helicene
Author(s) -
Llunell Miquel,
Alemany Pere,
Bofill Josep Maria
Publication year - 2008
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200800052
Subject(s) - helicene , chemistry , rotation (mathematics) , chemical physics , computational chemistry , stereochemistry , molecule , mathematics , organic chemistry , geometry
No independent rotation: Detailed analysis of the PES for triptycyl[3]helicene (see figure) shows that rotation around the helicene–triptycyl bond cannot be considered independently from other degrees of freedom when analyzing its stereodynamic behavior. The possibility of enantiomerization of the helicene pawl results in more complex dynamics than previously expected.