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Henry Rzepa's Blog

Henry Rzepa's Blog
Chemistry with a twist
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Chemical ITACSDOIGoogleHandleCiencias QuímicasInglés
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OK, you have to be British to understand the pun in the title, a famous comedy skit about four candles. Back to science, and my mention of some crystal data now having a DOI in the previous post. I thought it might be fun to replicate the contents of one of my ACS slides here. Firstly, a DOI is one implementation of a more generic (and quite old) concept known as a Handle. This is one form of a persistent digital identifier.

Chemical ITACSAmsterdamAmsterdam ManifestoDallasCiencias QuímicasInglés
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I have mentioned the Amsterdam manifesto before on these pages. It is worth repeating the eight simple principles: Data should be considered citable products of research. Such data should be held in persistent public repositories. If a publication is based on data not included with the article, those data should be cited in the publication.

GeneralBBCBritish Broadcasting CorporationProducerTomorrow's WorldCiencias QuímicasInglés
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A short post this, to remind that today is officially the 25th birthday of the World-Wide-Web, in March 1989. It took five years for a conference around the theme to be organised and below is a photo from that event. (C) CERN Photo From my perspective and perhaps from the 200 or so others present at that closing session, I went back home and told my young children that the world had changed that week. So it has.

Interesting ChemistryReaction MechanismActivation EnergyAnimationAromaticCiencias QuímicasInglés
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My previous post related to the aromatic electrophilic substitution of benzene using as electrophile phenyl diazonium chloride. Another prototypical reaction, and again one where benzene is too inactive for the reaction to occur easily, is the catalyst-free bromination of benzene to give bromobenzene and HBr.

Reaction MechanismCovalent SystemsFirst ProfessorFree EnergyImperial CollegeCiencias QuímicasInglés
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The diazo-coupling reaction dates back to the 1850s (and a close association with Imperial College via the first professor of chemistry there, August von Hofmann) and its mechanism was much studied in the heyday of physical organic chemistry.

Reaction MechanismCiencias QuímicasInglés
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A staple of introductory undergraduate teaching in organic chemistry is Markovnikov’s rule, which states: “the addition of a protic acid HX to an alkene results in the acid hydrogen (H) becoming attached to the carbon with fewer alkyl substituents and the halide (X) group to the carbon with more alkyl substituents“. Shortly thereafter, students are exposed […]

PericyclicReaction MechanismPotential Energy SurfaceCiencias QuímicasInglés
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The potential energy surface for a molecule tells us about how it might react. These surfaces have been charted for thousands of reactions using quantum mechanics, and their basic features are thought to be well understood. Coming across an entirely new feature is rare. So what do you make of the following?

PericyclicReaction MechanismCiencias QuímicasInglés
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As my previous post hints, I am performing my annual spring-clean of lecture notes on pericyclic reactions. Such reactions, and their stereochemistry, are described by a set of selection rules. I am always on the lookout for a simple example which can most concisely summarise these rules.