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Henry Rzepa's Blog

Henry Rzepa's Blog
Chemistry with a twist
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HistoricalChemical Sciences
Published

I have previously shown the grave of  William Perkin, a great british organic chemist. On a recent visit to  Paris, I went to see the crypt in the Panthéon, the great french secular necropolis. What a contrast to Perkin!  The Curies have a crypt all to themselves (VII), and other great french scientists such as Bertholet and Langevin as well as mathematicians such as Lagrange who are also interred in other crypts.

HistoricalInteresting ChemistryChemical Sciences
Published

In Jingdezhen an Imperial Kiln was built in 1369 to produce porcelain that was “white as jade, thin as paper, bright as a mirror and tuneful as a bell”. It’s the colours of the glazes that caught my eye, achieved by a combination of oxidative and reductive firing in the kiln, coupled with exquisite control of the temperature.

Interesting ChemistryChemical Sciences
Published

This comes to you from China, and the city of Suzhou. To set the scene, cities in China have a lot of motorbikes. Electric ones. With their own speed units, a % of Panda speed. Msny msny people ride bikes such as these; some even manage three passengers, or several boxes of shopping. And the streets will have dedicated lanes for them, although you do need eyes in the back of your head to spot their silent (often 15 kph) approach.

Interesting ChemistryReaction MechanismActivation Free Energy BarriersCambridgeEnergyChemical Sciences
Published

A fascinating re-examination has appeared[cite]10.1002/anie.201505482[/cite] of a reaction first published[cite]10.1002/ange.19600721210[/cite] in 1960 by Wittig and then[cite]10.1002/jlac.19646790106[/cite] repudiated by him in 1964 since it could not be replicated by a later student.

Chemical ITCrystal_structure_miningChemical PhenomenaChemical Sciences
Published

Previously, I explored deviation from ideal tetrahedral arrangements of four carbon ligands around a central (sp 3 ) carbon using crystal structures. Now it is the turn of digonal (sp 1 ) and trigonal (sp 2 ) carbons.  Firstly, the digonal C≡C case. Attached to each carbon of the C≡C unit are two saturated carbon ligands; this to prevent conjugation from influencing our result.

Chemical ITCrystal_structure_miningAngleCambridgeChemical BondingChemical Sciences
Published

An article entitled " Four Decades of the Chemistry of Planar Hypercoordinate Compounds "[cite]10.1002/anie.201410407[/cite] was recently reviewed by Steve Bacharach on his blog, where you can also see comments. Given the recent crystallographic themes here, I thought I might try a search of the CSD (Cambridge structure database) to see whether anything interesting might emerge for tetracoordinate carbon.

Chemical ITCrystal_structure_miningAmideFunctional GroupsThioamideChemical Sciences
Published

The previous post explored the structural features of amides. Here I compare the analysis with that for the closely related thioamides. Here is the torsional analysis around the C-N bond. The “diff” (difference) is that almost all the hits are concentrated into angles of 0° or 180°; the twist about the C-N bond from co-planarity is much less if S is present.

Chemical ITCrystal_structure_miningAmideChemical BondingConjugated SystemChemical Sciences
Published

The π-resonance in amides famously helped Pauling to his proposal of a helical structure for proteins. Here I explore some geometric properties of amides related to the C-N bond and the torsions about it. The key aspect of amides is that a lone pair of electrons on the nitrogen can conjugate with the C=O carbonyl only if the lone pair orbital is parallel to the C-O π-system.

Chemical ITChemical Sciences
Published

The first conference devoted to scientific uses of Wikipedia has just finished; there was lots of fascinating stuff but here I concentrate on one report that I thought was especially interesting. To introduce it, I need first to introduce WikiData. This is part of the WikiMedia ecosystem, and one of the newest. The basic concept is really simple. It is a repository for data objects; 14,757,419 of them as I write this to be precise.

GeneralChemical Sciences
Published

Most visitors to London use the famous underground trains (the “tube”) or a* double-decker bus* to see the city (one can also use rivers and canals). So I thought, during the tourism month of August, I would show you an alternative overground circumnavigation of the city using the metaphor of benzene. Benzene you see is a ring, comprising three “HCCH” segments.