Roberts, John D. and Hall, George E. (1971) Nuclear Magnetic Resonance Spectroscopy. Thermodynamics and Spectral Analysis of 7-Phenyl-7-Carbomethoxynorcaradiene Valence Tautomerisms. Journal of the American Chemical Society, 93 (9). pp. 2203-2207. ISSN 0002-7863. doi:10.1021/ja00738a019. https://resolver.caltech.edu/CaltechAUTHORS:20151012-133438961
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Abstract
The equilibria of 7-phenyl-, 7-(p-nitrophenyl)-, and 7-(p-methoxyphenyl)-7-carbomethoxynorcaradiene with their valence tautomers, the corresponding 1,3,5-cycloheptatrienes, have been studied by means of the 220-MHz pmr spectra at a series of temperatures. Although only time-averaged spectra of the rapidly equilibrating mixtures have been accessible, the enthalpy and entropy of the conversion of these three norcaradienes to the corresponding cycloheptatriene have been determined and found to be 5.4 ± 0.5 kcal mol^(-1) and 16.8 ± 2.0 cal mol^(-1) deg^(-1), 3.5 ± 0.2 kcal mol^(-1) and 11.0 ± 0.8 cal mol^(-1) deg^(-1), and 2.3 ± 0.3 kcal mol^(-1) and 7.4 ± 1.0 cal mol^(-1) deg^(-l), respectively. LAOCN3 analyses at two temperatures of the norcaradiene-cycloheptatriene portion of the pmr spectra of the three equilibrium mixtures have made possible the determination of approximate parameters for the pmr absorptions of each of the six individual compounds.
| Item Type: | Article | |||||||||
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| Additional Information: | © 1971 American Chemical Society. Received July 23, 1970. Supported by the National Science Foundation. | |||||||||
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| Issue or Number: | 9 | |||||||||
| DOI: | 10.1021/ja00738a019 | |||||||||
| Record Number: | CaltechAUTHORS:20151012-133438961 | |||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20151012-133438961 | |||||||||
| Official Citation: | Nuclear magnetic resonance spectroscopy. Thermodynamics and spectral analysis of 7-phenyl-7-carbomethoxynorcaradiene valence tautomerisms John D. Roberts and George E. Hall Journal of the American Chemical Society 1971 93 (9), 2203-2207 DOI: 10.1021/ja00738a019 | |||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||
| ID Code: | 60994 | |||||||||
| Collection: | CaltechAUTHORS | |||||||||
| Deposited By: | Ruth Sustaita | |||||||||
| Deposited On: | 15 Oct 2015 04:41 | |||||||||
| Last Modified: | 10 Nov 2021 22:42 |
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