Henry Rzepa's Blog Chemistry with a twist

July 9, 2012

Joining up the pieces. Peroxidation of ethyne.

Sometimes, connections between different areas of chemistry just pop out (without the help of semantic web tools, this is called serendipity). So here, I will try to join up some threads which emerge from previous posts.

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January 7, 2011

Do electrons prefer to move in packs of 4, 6 or 8 during proton exchange in a calixarene?

This story starts with a calixarene, a molecule (suitably adorned with substituents) frequently used as a host to entrap a guest and perchance make the guest do something interesting. Such a calixarene was at the heart of a recent story where an attempt was made to induce it to capture cyclobutadiene in its cavity.

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February 21, 2010

The structure of the hydrogen ion in water.

Stoyanov, Stoyanova and Reed recently published on the structure of the hydrogen ion in water. Their model was H(H2O)n+, where n=6 (DOI: 10.1021/ja9101826). This suggestion was picked up by Steve Bachrach on his blog, where he added a further three structures to the proposed list, and noted of course that with this type of system there must be a fair chance that the true structure consists of a well-distributed Boltzmann population of a number of almost iso-energetic forms.

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January 11, 2010

Chemical intimacy: Ion pairs in carbocations

The scheme below illustrates one of the iconic reactions in organic chemistry. It is a modern representation of Meerwein’s famous experiment from which he inferred a carbocation intermediate, deduced from studying the rate of enantiomerization of isobornyl chloride when treated with the Lewis acid SnCl4.

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April 3, 2009

The SN-1 Reaction live!

Pericyclic assistance for SN-1 solvolysis

Filed under: Interesting chemistry — Tags: , — Henry Rzepa @ 8:58 am
Pericylically assisted solvolysis. Click above to see model.

Click on diagram to see model.

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