Method of oriented circular dichroism

Circular Dichroism of Protein

Toroidal Circular Dichroism

T. A. Raybould,1, ⇤ V. A. Fedotov,1 N. Papasimakis,1 I. Kuprov,2 I. J. Youngs,3 W. T. Chen,4, † D. P. Tsai,4, 5 and N. I. Zheludev1, 6 Optoelectronics Research Centre, University of Southampton, SO17 1BJ, United Kingdom School of Chemistry, University of Southampton, SO17 1BJ, United Kingdom DSTL, Salisbury, United Kingdom Department of Physics, National Taiwan University, Taipei, 10617, Taiwan...

Circular dichroism: electronic

First-principles calculations of electronic circular dichroism (ECD) are widely used to determine absolute configurations of chiral molecules. In addition, ECD is a sensitive probe for the three-dimensional molecular structure, making ECD calculations a useful tool to study conformational changes. In this review, we explain the origin of ECD and optical activity using response theory. While the...

Nuclear spin circular dichroism.

Recent years have witnessed a growing interest in magneto-optic spectroscopy techniques that use nuclear magnetization as the source of the magnetic field. Here we present a formulation of magnetic circular dichroism (CD) due to magnetically polarized nuclei, nuclear spin-induced CD (NSCD), in molecules. The NSCD ellipticity and nuclear spin-induced optical rotation (NSOR) angle correspond to t...

The Exciton Chirality Method in Vibrational Circular Dichroism

The interaction of two IR chromophores yields a strong vibrational circular dichroism couplet whose sign reflects the absolute configuration of the molecule. We present a method to determine absolute configuration of a chiral molecule based on this couplet without need of theoretical calculation. Not only can this method analyze various molecules whose absolute configuration is difficult to det...