title: Mechanism of the chiral SHG activity of bacteriorhodopsin films.
abstract: The nonlinear optical activity of bacteriorhodopsin (bR) Langmuir-Blodgett (LB) films were investigated computationally and experimentally. The second harmonic generation optical rotary dispersion (SHG-ORD) response was calculated directly from the known structure and orientation of the PSB retinal chromophore within bR with no adjustable parameters. The predicted results agree remarkably well in sign, magnitude, and trend with the experimental SHG-ORD measurements. The calculations indicated negligible chirality with the tensor for the PSB retinal chromophore, but significant chiral-specific activity for the thin film through a relatively simple orientational mechanism.
authors.affiliation: Department of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47906, USA.
authors.forename: Ronald D
authors.initials: RD
authors.lastname: Wampler
authors.forename: Mingkang
authors.initials: M
authors.lastname: Zhou
authors.forename: David H
authors.initials: DH
authors.lastname: Thompson
authors.forename: Garth J
authors.initials: GJ
authors.lastname: Simpson
mesh_terms: D001436:Bacteriorhodopsins / Q000737:chemistry*; D008958:Models, Molecular; D013237:Stereoisomerism
chemical_list: D001436:Bacteriorhodopsins