Postagens de Rogue Scholar

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Publicados in Henry Rzepa's Blog

The Wikipedia entry on peroxydisulfate is quite short (as of today). But I suspect this article may change things.[cite]10.1038/s41559-017-0083[/cite]. A search of the Cambridge structure database reveals around 18 high quality crystal structures containing this species are known, many as metal salts.

Publicados in Henry Rzepa's Blog

The thread thus far. The post about Na 2 He introduced the electride anionic counter-ion to Na + as corresponding topologically to a rare feature known as a non-nuclear attractor. This prompted speculation about other systems with such a feature, and the focus shifted to a tetrahedral arrangement of four hydrogen atoms as a dication, sharing a total of two valence electrons. The story now continues here.

Publicados in Henry Rzepa's Blog

This post arose from a comment attached to the post on Na 2 He 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.

Publicados in Henry Rzepa's Blog

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.

Publicados in Henry Rzepa's Blog

On February 6th I was alerted to this intriguing article[cite]10.1038/nchem.2716[/cite] by a phone call, made 55 minutes before the article embargo was due to be released. Gizmodo wanted to know if I could provide an (almost) instant quote. After a few days, this report of a stable compound of helium and sodium still seems impressive to me and I now impart a few more thoughts here.

Publicados in Henry Rzepa's Blog

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. Here I ponder how a derivative of this molecule might be made, using computational profiling as one reality check.

Publicados in Henry Rzepa's Blog

Here is an inside peek at another one of Derek Lowe’s 250 milestones in chemistry, the polymorphism of Ritonavir .[cite]10.1023/A:1011052932607[/cite] The story in a nutshell concerns one of a pharma company’s worst nightmares;