A simulation of the conformation of all-trans-retinal by transfer of local conformations

✍ Scribed by Jean Wilcox Laing; Mark G. Sceats; Stuart A. Rice; Robert M. Gavin

• Book ID: 103016745
• Publisher: Elsevier Science
• Year: 1976
• Tongue: English
• Weight: 919 KB
• Volume: 41
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(76)85385-7

✦ Synopsis

Proton-proton [email protected]~ con&n% for Lhe polyene taill of all-tr2.n~ retinal have been esi&ated using 'long range coupRug constants determined from well resolved *H NMR spectra of simple model polyenes whose conformations either are known or may be assumed by virtue of the lack of significant steric effects. The values synthesized for the planar s-trans conformation are in good weement with those determined or estimated by Rowan et al., end are t&en to imply the existence of significant in-plane Spraying of C-C-C bonds. The conformation of 1 l-&-retinal is &o.deduced by use of empirical carrelations, the conclusion being that evidence exists for significant in-#z+.ne splaying of C-C-C bonds, compression of C-C-H bonds and out-of-plane twisting about the 12C-13C single bond.