Mono- and Bisphenanthroline Complexes of Chromium Group Metals with Conjugated Heterodienes – a Theoretical and Experimental Study

Mono- and bisphenanthroline complexes of chromium group metals conjugated heterodienes Abstract 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.