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Structure of the Boronic Acid Dimer and the Relative Stabilities of Its Conformers

โœ Scribed by Joseph D. Larkin; Krishna L. Bhat; George D. Markham; Bernard R. Brooks; Henry F. III Schaefer; Charles W. Bock

Publisher
John Wiley and Sons
Year
2006
Weight
8 KB
Volume
37
Category
Article
ISSN
0931-7597

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โœ S. Hoz; A. J. Kresge ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 108 KB ๐Ÿ‘ 1 views

Ab initio molecular orbital calculations at the MP2/6-311 + G\*\*//MP2/6-311 + G\*\* level show that the enol tautomer of acetoacetic acid in which the ketone group is enolized, 2, is more stable than its isomer in which the carboxylic acid group is enolized, 3, by 11โ€ข3 kcal mol ฯช 1 . This differenc