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Gaussian_calculations
Gaussian_calculations

Part One: Molecular Geometry and Directional Bonding A
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... Position of the course The aim of the course is to acquaint the students with the properties and synthesis of some important types of chemical compounds. In the first part of the course, the general concepts of chemical reaction kinetics are presented with emphasis on the relation between reaction r ...
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... without the intervention of radicals, carbocations, or other intermediates. It is a powerful method for the construction of cyclohexene rings, and has become such a mainstay of organic synthesis that its discoverers, Otto Diels and Kurt Alder, were awarded the Nobel Prize in Chemistry in 1950 for th ...
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Arenes test - A-Level Chemistry
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... -Be able to depict the reaction coordinate diagrams of each reaction -Be able to draw the mechanism, products and the stereochemical results of the Sn2, Sn1, E2 and E1 mechanism -If given a reaction be able to predict if it will favor the Sn2, Sn1, E2 or the E1 mechanism -Know how the incorporation ...
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Midterm review
Midterm review

< 1 ... 60 61 62 63 64 65 66 67 68 ... 73 >

Woodward–Hoffmann rules



The Woodward–Hoffmann rules, devised by Robert Burns Woodward and Roald Hoffmann, are a set of rules in organic chemistry predicting the barrier heights of pericyclic reactions based upon conservation of orbital symmetry. The Woodward–Hoffmann rules can be applied to understand electrocyclic reactions, cycloadditions (including cheletropic reactions), sigmatropic reactions, and group transfer reactions. Reactions are classified as allowed if the electronic barrier is low, and forbidden if the barrier is high. Forbidden reactions can still take place but require significantly more energy.The Woodward–Hoffmann rules were first formulated to explain the striking stereospecificity of electrocyclic reactions under thermal and photochemical control. Thermolysis of the substituted cyclobutene trans-1,2,3,4-tetramethylcyclobutene (1) gave only one diastereomer, the (E,E)-3,4-dimethyl-2,4-hexadiene (2) as shown below; the (Z,Z) and the (E,Z) diastereomers were not detected in the reaction. Similarly, thermolysis of cis-1,2,3,4-tetramethylcyclobutene (3) gave only the (E,Z) diastereomer (4).Due to their elegance and simplicity, the Woodward–Hoffmann rules are credited with first exemplifying the power of molecular orbital theory to experimental chemists. Hoffmann was awarded the 1981 Nobel Prize in Chemistry for this work, shared with Kenichi Fukui who developed a similar model using frontier molecular orbital (FMO) theory; because Woodward had died two years before, he was not eligible to win what would have been his second Nobel Prize for Chemistry.
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