Ring Orientation in βIonone and Retinals
Year: 1971
Type: article
Abstract: The ring orientation in beta-ionone, all-trans retinal, and 11-cis retinal, relative to that of the polyene chain, has been determined by means of semi-empirical calculations and magnetic resonance measurements of the nuclear Overhauser effect and long-range coupling constants. The experimental results yield a distorted s-cis conformation about the C(6)-C(7) "single bond", with the torsional angle in the range 30 degrees to 70 degrees . This agrees well with the semi-empirical potential function, which has a broad, rather flat minimum for angles from 40 degrees to 120 degrees . The temperature dependence of the NMR results provide confirmation for the form of the torsional potential.
Authors: B. Honig, B. Hudson, B. D. Sykes, M. Karplus
Institution: Harvard University
Language: English
Subfield: Spectroscopy
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
Funder: National Institutes of Health
OpenAlex ID: W2084720939