The energetics of naphthalene derivatives,III: phenylacetic acid and the isomeric 1- and 2-naphthylacetic acids |
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| Authors: | Maria Victoria Roux Manuel Temprado Rafael Notario ? Sergey P. Verevkin ? Vladimir N. Emel'yanenko Douglas E. Demasters |
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| Affiliation: | 1. Instituto de Química Física ‘Rocasolano’ , CSIC , Serrano 119, 28006 Madrid, Spain;2. Fachbereich Chemie , Abt. Physikalische Chemie, Universit?t Rostock , Hermannstr. 14, 18051 Rostock, Germany;3. Department of Chemistry and Biochemistry , University of Maryland, Baltimore County , 1000 Hilltop Circle, Baltimore, MD 21250, USA |
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| Abstract: | Phenylacetic acid and the isomeric 1- and 2-naphthylacetic acids are at the confluence of diverse concepts, techniques and classes of organic compounds. Summing the results of our new enthalpy of formation of the gaseous phenylacetic acid reported herein, and of literature enthalpy of formation of the isomeric solid naphthylacetic acids and of our new sublimation enthalpies reported herein, we derive gas phase enthalpies of formation of ?314.7±3.1, ?246.9±2.0 and ?247.4±2.1kJmol?1 respectively. This corresponds to 1- and 2-naphthylacetic acid having indistinguishable enthalpies of formation. We also performed MP2(full)/6-31G(d) calculations on these species, resulting in enthalpies of formation of ?307.3±0.8, ?247.4±3.4 and ?247.5±3.4kJmol?1 for phenylacetic acid and 1- and 2-naphthylacetic acid in satisfactory agreement with the above experimental results. |
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