Next Article in Journal
Ba4[Mn3N6], a Quasi-One-Dimensional Mixed-Valent Nitridomanganate (II, IV)
Previous Article in Journal
Raman Scattering as a Probe of the Magnetic State of BEDT-TTF Based Mott Insulators
Previous Article in Special Issue
New Polymorphs of the Phase-Change Material Sodium Acetate
Article Menu
Issue 6 (June) cover image

Export Article

Open AccessArticle
Crystals 2018, 8(6), 234; https://doi.org/10.3390/cryst8060234

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

1
Department of Chemistry, Emory University, 1515 Dickey Dr., Atlanta, GA 30322, USA
2
Instituto de Química, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, México 04510, Mexico
Dedicated to Professor Kim Dunbar.
*
Author to whom correspondence should be addressed.
Received: 10 May 2018 / Revised: 18 May 2018 / Accepted: 19 May 2018 / Published: 25 May 2018
(This article belongs to the Special Issue Experimental and Theoretical Electron Density Analysis of Crystals)
Full-Text   |   PDF [18325 KB, uploaded 25 May 2018]   |  

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)—were examined. The crystal structures were isostructural, and the alkaline-earth-metal ions had the same six-coordinate environment oxygen donor atoms which was octahedral despite the large variation in their ionic radii. The isomorphism of these molecules was surprising, and a theoretical examination of their electronic structures, with various metal ions along the series, provided detailed insight into their stabilities. The theoretical and experimental data were consistent and agreed well. The local properties of the Co(II) ion and its donor atoms were relatively independent of the alkaline earth metals. View Full-Text
Keywords: quantum theory of atoms in molecules (QTAIM); alkaline earth metals; theoretical electron densities quantum theory of atoms in molecules (QTAIM); alkaline earth metals; theoretical electron densities
Figures

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
SciFeed

Share & Cite This Article

MDPI and ACS Style

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.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Crystals EISSN 2073-4352 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top