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Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering.

Publication ,  Journal Article
Zuber, G; Wipf, P; Beratan, DN
Published in: Chemphyschem : a European journal of chemical physics and physical chemistry
February 2008

Rayleigh optical activity (RayOA) spectroscopy promises to provide an elegant and robust analytical method to probe molecular stereochemistry. A careful selection of RayOA variants such as right-angle depolarized ICP (incident circular polarization) or backscattering DCP(I) (in-phase dual circular polarization) allows analysis of the anisotropic component of the scattered light. In this study, we show that calculated anisotropic Rayleigh optical activity quantities provide key advantages over isotropic chiroptical quantities (such as optical rotation and RayOA variants dominated by isotropic invariants): 1) higher sensitivity for probing the chiroptical tensor G', 2) reduced dependence on small geometry changes, and 3) much less stringent computational demand for predicting an accurate sign than for optical rotation. Moreover, the stereochemical information provided by anisotropic RayOA and its invariants can be used to develop chirality descriptors because of the apparent correlation between structure/stereochemistry and the sign and magnitude of the anisotropic Rayleigh optical activity quantities.

Duke Scholars

Published In

Chemphyschem : a European journal of chemical physics and physical chemistry

DOI

EISSN

1439-7641

ISSN

1439-4235

Publication Date

February 2008

Volume

9

Issue

2

Start / End Page

265 / 271

Related Subject Headings

  • Chemical Physics
  • 3406 Physical chemistry
  • 3403 Macromolecular and materials chemistry
  • 0307 Theoretical and Computational Chemistry
  • 0306 Physical Chemistry (incl. Structural)
  • 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics
 

Citation

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Zuber, G., Wipf, P., & Beratan, D. N. (2008). Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering. Chemphyschem : A European Journal of Chemical Physics and Physical Chemistry, 9(2), 265–271. https://doi.org/10.1002/cphc.200700660
Zuber, Gérard, Peter Wipf, and David N. Beratan. “Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering.Chemphyschem : A European Journal of Chemical Physics and Physical Chemistry 9, no. 2 (February 2008): 265–71. https://doi.org/10.1002/cphc.200700660.
Zuber G, Wipf P, Beratan DN. Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering. Chemphyschem : a European journal of chemical physics and physical chemistry. 2008 Feb;9(2):265–71.
Zuber, Gérard, et al. “Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering.Chemphyschem : A European Journal of Chemical Physics and Physical Chemistry, vol. 9, no. 2, Feb. 2008, pp. 265–71. Epmc, doi:10.1002/cphc.200700660.
Zuber G, Wipf P, Beratan DN. Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering. Chemphyschem : a European journal of chemical physics and physical chemistry. 2008 Feb;9(2):265–271.
Journal cover image

Published In

Chemphyschem : a European journal of chemical physics and physical chemistry

DOI

EISSN

1439-7641

ISSN

1439-4235

Publication Date

February 2008

Volume

9

Issue

2

Start / End Page

265 / 271

Related Subject Headings

  • Chemical Physics
  • 3406 Physical chemistry
  • 3403 Macromolecular and materials chemistry
  • 0307 Theoretical and Computational Chemistry
  • 0306 Physical Chemistry (incl. Structural)
  • 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics