Roberts, John D. and Streitwieser, Andrew, Jr. (1952) Quantum Mechanical Calculations of Orientation in Aromatic Substitution. Journal of the American Chemical Society, 74 (18). pp. 4723-4725. ISSN 0002-7863. doi:10.1021/ja01138a525. https://resolver.caltech.edu/CaltechAUTHORS:20151022-140102381
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Abstract
Wheland has shown definitely that the molecular orbital method makes possible a single unified treatment of electrophilic, free-radical and nucleophilic substitution reactions of aromatic molecules. His approach was based on calculations of the energies of activated complexes of type I where z is a unit positive charge, an unpaired electron or a unit negative charge depending on whether the attacking reagent (R) is an electrophilic, radical or nucleophilic species.
| Item Type: | Article | |||||||||
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| Additional Information: | © 1952 American Chemical Society. Received March 11, 1952. Supported by the research program of the U. S. Atomic Energy Commission under contract AT(30-1)905. We are deeply indebted to Dr. W. G. McMillan Jr., for advice on methods of calculation. | |||||||||
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| Issue or Number: | 18 | |||||||||
| DOI: | 10.1021/ja01138a525 | |||||||||
| Record Number: | CaltechAUTHORS:20151022-140102381 | |||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20151022-140102381 | |||||||||
| Official Citation: | Quantum Mechanical Calculations of Orientation in Aromatic Substitution1 John D. Roberts and Andrew Streitwieser Jr. Journal of the American Chemical Society 1952 74 (18), 4723-4725 DOI: 10.1021/ja01138a525 | |||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||
| ID Code: | 61437 | |||||||||
| Collection: | CaltechAUTHORS | |||||||||
| Deposited By: | Ruth Sustaita | |||||||||
| Deposited On: | 26 Oct 2015 21:40 | |||||||||
| Last Modified: | 10 Nov 2021 22:49 |
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