Vibrational circular dichroism and ab initio structure elucidation of an aromatic foldamer.
Ab initio calculations together with vibrational circular dichroism (VCD) are validated as very accurate tools for studying conformations and estimating conformational energies and helical handedness preferences of an entire, large (112 atoms), abiotic foldamer.
Buffeteau
Thierry
T
Laboratoire de Physico-Chimie Moléculaire, Université Bordeaux I, 351 Cours de la Libération, 33405 Talence, France.
Ducasse
Laurent
L
Poniman
Legiso
L
Delsuc
Nicolas
N
Huc
Ivan
I