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An Exploratory Study of the Conformational Intricacy of Selected Fluoro-substituted Carboxylic Acids by Á Dörnyei; I.G Csizmadia is a Chemistry article available to read on EtoBox.
What is An Exploratory Study of the Conformational Intricacy of Selected Fluoro-substituted Carboxylic Acids about?
The effects of fluorine and carboxylic acid functional groups was studied on the conformations of CH 3 -CHF-COOH and CH 3 -CHF-CHF-COOH molecules. The ab initio level of theory investigations were performed using the Hartree -Fock (HF) method with 6-31G\*\* basis set. The preferred conformations were identified and possible intramolecular hydrogen bonds were looked for. Two types of intramolecular hydrogen bonds were found. The first is an F• • •HO and the other is an OH• • •O(carbonyl) close contact. The energy contributions of these bondings to the stabilization of the molecules were also estimated.
Who reads An Exploratory Study of the Conformational Intricacy of Selected Fluoro-substituted Carboxylic Acids?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Á Dörnyei; I.G Csizmadia
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0166-1280)
- Published
- 2003
- Language
- EN
- Field
- Chemistry (Physical Sciences)