Postagens de Rogue Scholar

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Publicados in Henry Rzepa's Blog

Around the time of the 2012 olympic games, the main site for which was Stratford in east London, I heard a fascinating talk about the “remediation” of the site from the pollution caused by its industrial chemical heritage. Here I visit another, arguably much more famous and indeed older industrial site. The remediation of Stratford involved the removal, cleaning and returning of a vast amount of topsoil, something which was not cheap to do.

Publicados in Henry Rzepa's Blog

I have posted often on the chemical phenomenon known as hypervalency, being careful to state that as defined it applies just to “octet excess” in main group elements. But what about the next valence shell, occurring in transition metals and known as the “18-electron rule”? You rarely hear the term hypervalency being applied to such molecules, defined presumably by the 18-electron valence shell count being exceeded.

Publicados in Henry Rzepa's Blog

C&EN has again run a vote for the 2017 Molecules of the year. Here I take a look not just at these molecules, but at how FAIR (Findable, Accessible, Interoperable and Reusable) the data associated with these molecules actually is. I went about finding out as follows: The article DOI for all seven candidates was linked to the C&EN site.

Publicados in Henry Rzepa's Blog

A little while ago I pondered allotropic bromine, or Br(Br) 3 . But this is a far wackier report[cite]10.1126/science.aao7293[/cite] of a molecule of light. The preparation and detection of dimer and trimer bound photon states is pure physics; probably considered by the physicists themselves as NOT chemistry. It is certainly true, as a chemist,  that I understood only a little of the article.

Publicados in Henry Rzepa's Blog

Last year, this article[cite]10.1038/nchem.2716[/cite] attracted a lot of attention as the first example of molecular helium in the form of Na 2 He. In fact, the helium in this species has a calculated bond index of only 0.15 and it is better classified as a sodium electride with the ionisation induced by pressure and the presence of helium atoms.

Publicados in Henry Rzepa's Blog

Last year, I showed photos of wildflower meadows in west London close to where we live, evolving as the seasons changed. Today we hear the announcement that London itself is set be declared the world’s first National Park City in 2019. What is a park city you may ask? It draws on the principles of National Parks such as the Peak District, the New Forest, or the South Downs in the UK, but in a city setting.

Publicados in Henry Rzepa's Blog

The topic of open citations was presented at the PIDapalooza conference and represents a third component in the increasing corpus of open scientific information. David Shotton gave us an update on  Citations as First Class data objects – Citation Identifiers and introduced (me) to the blog where he discusses this topic.

Publicados in Henry Rzepa's Blog

Another occasional conference report (day 1). So why is one about “persistent identifiers” important, and particularly to the chemistry domain? The PID most familiar to most chemists is the DOI (digital object identifier). In fact there are many; some 60 types have been collected by ORCID (themselves purveyors of researcher identifiers). They sometimes even have different names;