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Henry Rzepa's Blog

Henry Rzepa's Blog
Chemistry with a twist
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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.

Historical2001-2050Alfred NobelBill GriffithCountry: United KingdomChemical Sciences
Published

The book of the title has recently appeared giving a rich and detailed view over 417 pages, four appendices and 24 pages of photographs of how a university chemistry department in the UK came into being in 1845 and its subsequent history of discoveries, Nobel prizes and much more.

Chemical ITHistorical10.5517Advertising & Marketing - NECChemical ContextChemical Sciences
Published

Almost exactly 20 years ago, I started what can be regarded as the precursor to this blog. As part of a celebration of this anniversary, I revisited the page to see whether any of it had withstood the test of time. Here I recount what I discovered.

Interesting ChemistryReaction MechanismAccessible Activation Free EnergyAryneAzulenesChemical Sciences
Published

The story so far. Inspired by the report of the most polar neutral compound yet made, I suggested some candidates based on the azulene ring system that if made might be even more polar. This then led to considering a smaller π-analogue of azulene, m-benzyne.