Title
Vibrational Circular Dichroism (VCD) Reveals Subtle Conformational Aspects and Intermolecular Interactions in the Carnitine Family
Author
Giuseppe Mazzeo, Sergio Abbate, Giovanna Longhi, Ettore Castiglioni, Claudio Villani
Year
2015
Journal
Chirality
Abstract
Vibrational circular dichroism spectra (VCD) in the mid‐IR region and electronic circular dichroism (ECD) spectra for three carnitine derivatives in the form of hydrochloride salts were recorded in deuterated methanol solutions. Density Functional Theory calculations help one to understand the significance of the observed VCD bands. VCD and ECD spectra are informative about the absolute configuration of the molecule, but VCD data reveal also some conformational aspects in the N,N,N‐trimethyl moiety and inform us about intermolecular interactions gained from the carbonyl stretching region for the acyl substituted carnitines
Instrument
FVS-6000
Keywords
Vibrational circular dichroism, Carnitine, Density Functional Theory (DFT)