UCL logo

UCL Discovery

UCL home » Library Services » Electronic resources » UCL Discovery

Determination of molar refractions and Abraham descriptors for tris(acetylacetonato)chromium(III), tris(acetylacetonato)iron(III) and tris(acetylacetonato)cobalt(III)

Abraham, MH; Acree, WE; Fucaloro, AF; Zanella, AW; (2017) Determination of molar refractions and Abraham descriptors for tris(acetylacetonato)chromium(III), tris(acetylacetonato)iron(III) and tris(acetylacetonato)cobalt(III). New Journal of Chemistry , 41 (23) pp. 14259-14265. 10.1039/c7nj02102j. Green open access

[img]
Preview
Text
c7nj02102j.pdf - ["content_typename_Published version" not defined]

Download (1MB) | Preview

Abstract

We have determined molar refractions of tris(acetylacetonato)chromium(III), tris(acetylacetonato)iron(III) and tris(acetylacetonato)cobalt(III). Although the d-electron structures of the three metal centres differ significantly, the three molar refractions are actually quite close to each other. We then used these molar refractions to determine the Abraham E-descriptor, we calculated the V-descriptor by McGowan's method, and then used literature data on solubilities and water–solvent partitions to obtain the rest of the set of descriptors for the three tris(acetylacetonato) complexes. If we take E as the average of those for the chromium, iron and cobalt complexes, we can use limited literature data to obtain the full set of Abraham descriptors for the tris(acetylacetonates) of vanadium(III), yttrium(III), samarium(III), lanthanum(III) and neodymium(III). For the eight complexes, the descriptors vary regularly with complex molecular weight. These show that the complexes are quite polarizable, have zero hydrogen-bond acidity and significant hydrogen bond basicity. From the sets of Abraham descriptors, a very large number of physicochemical properties can be predicted for the eight acetonylacetonates.

Type: Article
Title: Determination of molar refractions and Abraham descriptors for tris(acetylacetonato)chromium(III), tris(acetylacetonato)iron(III) and tris(acetylacetonato)cobalt(III)
Open access status: An open access version is available from UCL Discovery
DOI: 10.1039/c7nj02102j
Publisher version: https://doi.org/10.1039/c7nj02102j
Language: English
Additional information: Open Access Article. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (http://creativecommons.org/licenses/by/3.0/)
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: http://discovery.ucl.ac.uk/id/eprint/10063631
Downloads since deposit
6Downloads
Download activity - last month
Download activity - last 12 months
Downloads by country - last 12 months

Archive Staff Only

View Item View Item