Posts Tagged ‘condensation’
Saturday, August 25th, 2018
Symbiosis between computation and experiment is increasingly evident in pedagogic journals such as J. Chemical Education. Thus an example of original laboratory experiments[1],[2] that later became twinned with a computational counterpart.[3] So when I spotted this recent lab experiment[4] I felt another twinning approaching.
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References
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A. Burke, P. Dillon, K. Martin, and T.W. Hanks, "Catalytic Asymmetric Epoxidation Using a Fructose-Derived Catalyst", Journal of Chemical Education, vol. 77, pp. 271, 2000. http://dx.doi.org/10.1021/ed077p271
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J. Hanson, "Synthesis and Use of Jacobsen's Catalyst: Enantioselective Epoxidation in the Introductory Organic Laboratory", Journal of Chemical Education, vol. 78, pp. 1266, 2001. http://dx.doi.org/10.1021/ed078p1266
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K.K.(. Hii, H.S. Rzepa, and E.H. Smith, "Asymmetric Epoxidation: A Twinned Laboratory and Molecular Modeling Experiment for Upper-Level Organic Chemistry Students", Journal of Chemical Education, vol. 92, pp. 1385-1389, 2015. http://dx.doi.org/10.1021/ed500398e
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M. Meazza, A. Kowalczuk, S. Watkins, S. Holland, T.A. Logothetis, and R. Rios, "Organocatalytic Cyclopropanation of (E)-Dec-2-enal: Synthesis, Spectral Analysis and Mechanistic Understanding", Journal of Chemical Education, vol. 95, pp. 1832-1839, 2018. http://dx.doi.org/10.1021/acs.jchemed.7b00566
Tags:Ammonium, Benzyl group, Cations, chemical diagrams, Chemistry, condensation, final product, Functional groups, Iminium, Interesting chemistry, Methyl group, Name reactions, Organic chemistry, possible diastereomeric products, relative energy, Vector Graphics, web browsers
Posted in Uncategorised | 9 Comments »
Saturday, November 28th, 2015
In answering tutorial problems, students often need skills in deciding how much time to spend on explaining what does not happen, as well as what does. Here I explore alternatives to the mechanism outlined in the previous post to see what computation has to say about what does (or might) not happen.
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Tags:animation, Chemical bond, condensation, Demjanov rearrangement, energy, Interesting chemistry, Rearrangement reactions, Tiffeneau–Demjanov rearrangement
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Thursday, October 9th, 2014
This second report highlights two “themes”, or common ideas that seem to emerge spontaneously from diversely different talks. Most conferences do have them.
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Tags:Complex Biological Systems, condensation, gas-phase molecular species, Interesting chemistry, metal surface catalysis, molecular systems, non-crystalline systems, organic chemist, organometallic systems, potential energy surface, representative, Stefan Grimme, Thus Emily Carter
Posted in WATOC reports | 1 Comment »
Sunday, April 22nd, 2012
Astronomers who discover an asteroid get to name it, mathematicians have theorems named after them. Synthetic chemists get to name molecules (Hector’s base and Meldrum’s acid spring to mind) and reactions between them. What do computational chemists get to name? Transition states! One of the most famous of recent years is the Houk-List.
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Tags:catalysis, condensation, energy, gas-phase optimised geometry, Historical, Houk-List, Interesting chemistry, smallest steric exchange energy, so-called single-point solvation energy correction, steric exchange energy
Posted in Uncategorised | 4 Comments »