Mono- And bisphenanthroline complexes of chromium group metals with conjugated heterodienes – A theoretical and experimental study

Abstract

© 2020 Kazan Federal University. All rights reserved. A theoretical study was carried out (with the help of the density functional method, based on LANL2DZ and the modified BHandHLYP functional) for the energy, electronic, and geometric properties of (heterodien)M(phen)(CO)2 and (heterodien)M(phen)2 complexes. The obtained results indicate the possibility of using phenanthroline ligand to stabilize heterodiene structures. A number of previously undescribed carbonylphenanthroline, bis-phenanthroline carbonyl, oxodien- and thioxodienfenanthroline (and bis-phenanthroline oxodien/thioxodien) coordination compounds were synthesized. A low lability of the phenolanthroline-stabilized organometallic compound was demonstrated by the NMR studies. The prospects of applying phenanthroline as a “ligand standard” to synthesize organometallic compounds of VI-group metals were confirmed. Dimethylphosphite was added via a multiple C=O bond of the oxodiene and dienone complexes of the chromium group metals.