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

By Sergio Abbate, Giovanna Longhi, France Lebon, MatteoTommasini

July 30, 2019

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Title

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

Author

Sergio Abbate, Giovanna Longhi, France Lebon, MatteoTommasini

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

https://www.sciencedirect.com/science/article/abs/pii/S0301010412002741

Instrument

FVS-4000

Keywords

Vibrational circular dichroism, Apomorphine, Density functional theory (DFT) calculations, Electronic circular dichroism (ECD), Solvent effects, Intramolecular hydrogen bond