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Henry Rzepa's Blog

Henry Rzepa's Blog
Chemistry with a twist
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Chemical ITApple ComputerAppletalkAustraliaChemicalChemieEnglisch
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As a personal retrospective of my use of computers (in chemistry), the Macintosh plays a subtle role. 1985: In the previous part, I noted how the Corvus Concept computer introduced a network hard drive (these still being too expensive for any one individual to afford one); the same principle applied to the 1985 Macintosh but now relating to the remarkable introduction of the laser printer.

Chemical ITChemical ShiftsChemistry Department Computer NetworkControllerDirectorChemieEnglisch
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Computers and I go back a while (44 years to be precise), and it struck me (with some horror) that I have been around them for ~62% of the modern computing era (Babbage notwithstanding, ~1940 is normally taken as the start of the modern computing era). So indulge me whilst I record this perspective from the viewpoint of the computers I have used over this 62% of the computing era.

HypervalencyELFQTAIMChemieEnglisch
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A little while ago, I speculated (blogs are good for that sort of thing) about hexavalent carbon, and noted how one often needs to make (retrospectively) obvious connections between two different areas of chemistry. That post has attracted a number of comments in the two years its been up, along the lines: what about carboranes? So here I have decided to explore that portal into boron chemistry.

DyotropicPericyclicTutorial MaterialChemieEnglisch
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The last two posts have played a game of find the electrons. We saw how the dyotropic rearrangement of ethane borrowed electrons from the C-C bond, and how 1,2,dibromoethane went ionic on us. How about this mixed system, in which a hydrogen and a BH 2 swap their positions? Dyotropic rearrangement involving boron and hydrogen. It is yet again different.

DibromoethaneDyotropicIontriplePericyclicTutorial MaterialChemieEnglisch
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In the previous post,  I discussed what we could learn from ethane by forcing it into a pericyclic dyotropic rearrangement. We saw how it voraciously scavenged two electrons from the  C-C bond to achieve this. What if we give it more electrons? Thus 1,2-dibromoethane undergoing the same reaction. Dyotropic rearrangement of 1,2-dibromoethane.

AnimationAntiaromaticityCyclic Electron SystemsDistorsionDyotropicChemieEnglisch
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In a time when large (molecules) are considered beautiful (or the corollary that beauty must be big), it is good to reflect that small molecules may teach us something as well. Take ethane. Is there anything left which has not been said about it already? Well, consider the reaction below, in which two hydrogen atoms mutually hop from one carbon to the other. The dyotropic reaction of ethane.

Chemical ITGeneralBohrBuryChemical BondingChemieEnglisch
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In 1923, Coster and von Hevesy[cite]10.1038/111079a0[/cite] claimed discovery of the element Hafnium , atomic number 72 (latin Hafnia, meaning Copenhagen, where the authors worked) on the basis of six lines in its X-ray spectrum. The debate had long raged as to whether (undiscovered) element 72 belonged to the rare-earth group 3 of the periodic table below yttrium, or whether it should be placed

GeneralInteresting ChemistryChiropticalMetallic CarbonNanotorusChemieEnglisch
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The interface between physics, chemistry (and materials science) can be a fascinating one. Here I show a carbon nanotorus, devised by physicists[cite]10.1103/PhysRevLett.88.217206[/cite] a few years ago. It is a theoretical species, and was predicted to have a colossal paramagnetic moment . Carbon nanotorus.