Quantum chemical investigations of charge transfer interactions in relation to the electronic theory of cancer. IV. The interaction of formamide and the enol tautomers of several glyoxals

✍ Scribed by John R. Ball; Colin Thomson

• Publisher: John Wiley and Sons
• Year: 1980
• Tongue: English
• Weight: 480 KB
• Volume: 1
• Category: Article
• ISSN: 0192-8651
• DOI: 10.1002/jcc.540010411

✦ Synopsis

Abstract

The results of ab initio “supermolecule” calculations of the charge transfer between formamide and the enol forms of methylglyoxal, ethylglyoxal, dimethylglyoxal, and propenylglyoxal are compared for several different conformations of the constituent molecules. The enols were found to be poorer electron acceptors than their respective keto isomers.