Prediction of heptagonal bipyramidal nonacoordination in highly viable [OB-M©B₇O₇-BO]^- (M = Fe, Ru, Os) complexes.

ABSTRACT: Non-spherical distributions of ligand atoms in coordination complexes are generally unfavorable due to higher repulsion than for spherical distributions. To the best of our knowledge, non-spherical heptagonal bipyramidal nonacoordination is hitherto unreported, because of extremely high repulsion among seven equatorial ligand atoms. Herein, we report the computational prediction of such nonacoordination, which is constructed by the synergetic coordination of an equatorial hepta-dentate centripetal ligand (B₇O₇) and two axial mono-dentate ligands (-BO) in the gear-like mono-anionic complexes [OB-M©B₇O₇-BO]^- (M = Fe, Ru, Os). The high repulsion among seven equatorial ligand B atoms has been compensated by the strong B-O bonding. These co

SUBMITTER: Jin B 

PROVIDER: S-EPMC9814638 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature