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Henry Rzepa's Blog

Henry Rzepa's Blog
Chemistry with a twist
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Reaction MechanismChemistryMethaneMolecular GeometryOrbital HybridisationChemical Sciences
Published

This is a spin-off from the table I constructed here for further chemical examples of the classical/non-classical norbornyl cation conundrum. One possible entry would include the transition state for inversion of methane via a square planar geometry as compared with e.g. NiH4 for which the square planar motif is its minimum.

Chemical ITAPIChemical DatabasesCity: LondonCompany: TfLChemical Sciences
Published

Living in London, travelling using public transport is often the best way to get around. Before setting out on a journey one checks the status of the network. Doing so today I came across this page: our open data from Transport for London.

Crystal_structure_miningAntiaromaticityChemistryCyclobutadieneInstabilityChemical Sciences
Published

Cyclobutadiene is one of those small iconic molecules, the transience and instability of which was explained theoretically long before it was actually detected in 1965. Given that instability, I was intrigued as to how many crystal structures might have been reported for this ring system, along with the rather more stable congener cyclo-octatetraene.

Interesting ChemistryAttractorBrief SearchChemistryElectronChemical Sciences
Published

This post arose from a comment attached to the post on Na2He and relating to peculiar and rare topological features of the electron density in molecules called non-nuclear attractors. This set me thinking about other molecules that might exhibit this and one of these is shown below.

Interesting ChemistryBromineBromine TrifluorideChemical ElementsChemistryChemical Sciences
Published

I analysed the bonding in chlorine trifluoride a few years back in terms of VSEPR theory. I noticed that several searches on this topic which led people to this post also included a query about the differences between it and the bromine analogue. For those who posed this question, here is an equivalent analysis.