An Examination of the Electron Densities in a Series of Tripodal Cobalt Complexes Bridged by Magnesium, Calcium, Strontium and Barium

John Bacsa; Fernando Cortés-Guzmán; Lillian G. G. Ramírez-Palma; Christian Wallen; Christopher Scarborough

doi:10.20944/preprints201805.0172.v1

A peer-reviewed article of this Preprint also exists.

Bacsa, J.; Ramírez-Palma, L.G.; Cortés-Guzmán, F.; Wallen, C.M.; Scarborough, C.C. An Examination of the Electron Densities in a Series of Tripodal Cobalt Complexes Bridged by Magnesium, Calcium, Strontium, and Barium ^†. Crystals 2018, 8, 234. Bacsa, J.; Ramírez-Palma, L.G.; Cortés-Guzmán, F.; Wallen, C.M.; Scarborough, C.C. An Examination of the Electron Densities in a Series of Tripodal Cobalt Complexes Bridged by Magnesium, Calcium, Strontium, and Barium †. Crystals 2018, 8, 234.

Abstract

X-ray crystallographic and theoretical charge density data for a series of compounds [(Co(Ts3tren))M(Co(Ts3tren))] (M = Mg, Ca, Sr and Ba) is examined. The crystal structures are isostructural and the alkaline earth metal ions have the same arrangement of donor oxygen atoms despite the large variation in ionic radii. The isomorphism of these molecules is surprising and a theoretical examination of the electronic structures, with the different metal ions along the series, provides detailed insight into their stabilities. The theoretical and experimental data are consistent and agree well. The local properties of the Co(II) ion and its donor atoms are relatively independent of the alkali earth metal.

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An Examination of the Electron Densities in a Series of Tripodal Cobalt Complexes Bridged by Magnesium, Calcium, Strontium and Barium

Abstract

Keywords

Subject

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