Electronic and vibrational circular dichroism spectra of (R)-(-)-apomorphine

By Sergio Abbate, Giovanna Longhi, France Lebon, Matteo Tommasini

July 28, 2017

  • Year

  • Technique

  • Industry

Title

Electronic and vibrational circular dichroism spectra of (R)-(-)-apomorphine

Author

Sergio Abbate, Giovanna Longhi, France Lebon, Matteo Tommasini

Year

2012

Journal

Chemical Physics

Abstract

Apomorphine is a chiral drug molecule; notwithstanding its extraordinary importance, little attention has been paid to the characterization of its chiroptical properties. Here we report on its electronic circular dichroism (ECD) spectra, recorded in methanol and water, and vibrational circular dichroism (VCD) in methanol and dimethyl sulfoxide (DMSO) solutions. Density functional theory (DFT) calculations have allowed us to interpret the spectra and to evaluate the role of possible conformations, charge-states and interactions with counter ions.

Full Article

http://www.sciencedirect.com/science/article/pii/S0301010412002741

Instrument

J-815

Keywords

Circular dichroism, Stereochemistry, Medicinal