eprintid: 19350
rev_number: 22
userid: 1419
dir: disk0/00/01/93/50
datestamp: 2013-07-23 15:53:16
lastmod: 2021-06-12 22:56:04
status_changed: 2013-07-23 15:53:16
type: article
metadata_visibility: show
item_issues_count: 0
eprint_status: archive
creators_name: Zuber, G
creators_name: Wipf, P
creators_name: Beratan, DN
creators_email: 
creators_email: pwipf@pitt.edu
creators_email: 
creators_id: 
creators_id: PWIPF
creators_id: 
title: Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering
ispublished: pub
divisions: sch_as_chemistry
full_text_status: public
abstract: 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 DCP1 (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 domi nated 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. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.
date: 2008-02-01
date_type: published
publication: ChemPhysChem
volume: 9
number: 2
pagerange: 265 - 271
refereed: TRUE
issn: 1439-4235
id_number: 10.1002/cphc.200700660
pmid: 18219646
citation:   Zuber, G and Wipf, P and Beratan, DN  (2008) Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering.  ChemPhysChem, 9 (2).  265 - 271.  ISSN 1439-4235     
document_url: http://d-scholarship-dev.library.pitt.edu/19350/1/licence.txt