Archive for July, 2017

Wild flowers in West London.

Monday, July 24th, 2017
No Gravatar

Bees are having a tough time around the world. Oddly, they are surviving very well in cities. One reason are the wild flower meadows in London and for some summer relief I thought I would tell you the story of the one shown below.

(more…)

Accessing (raw) chemical data: a peek into the CIF format.

Friday, July 21st, 2017
No Gravatar

There is much focus at the moment on how to ensure experimental replicability in e.g. the molecular sciences. An important aspect of that is having access to FAIR data; data which is findable, accessible, inter-operable and re-usable. One of the “gold standards” in chemistry is the data associated with crystal structures. Here I take an inside peek into the standard file-type for carrying crystal structure data, the CIF file (the Crystallographic Information File).

(more…)

Dispersion “bonds” not involving just hydrogen: can it work for F…H?

Tuesday, July 18th, 2017
No Gravatar

The effects of loading up lots of dispersion attractions (between t-butyl groups) into a compact molecule has the interesting consequence of allowing two “non-bonded” hydrogen atoms to approach to ~1.5Å of each other, thus creating the appearance of a “bond” where one normally would not be found. Can such an effect be injected into other combinations of two atoms, say H and F? Here I briefly explore this notion.

(more…)