Relative energy of organic compounds IV. Radicals, carbocations, and carbanions

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• 作者：Árpád Furka
• 关键词：Heat of formation ; Relative energy ; Relative enthalpy ; Radicals ; Carbocations ; Carbanions ; Education
• 刊名：Structural Chemistry
• 出版年：2017
• 出版时间：April 2017
• 年：2017
• 卷：28
• 期：2
• 页码：309-316
• 全文大小：
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Computer Applications in Chemistry; Physical Chemistry; Theoretical and Computational Chemistry;
• 出版者：Springer US
• ISSN：1572-9001
• 卷排序：28

文摘

The structure-dependent energies of organic radicals, cations, and anions are deduced from their calculated relative enthalpies and are compared to the relative enthalpies of their parent compounds. The use of relative enthalpies to express the relative energies of organic radicals, cations, and anions proved to be as fruitful as in the case of their parent organic compounds. The same energy-determining structural factors may have stronger, weaker, or even opposite effects in the radicals, cations, or anions than those in their parent molecules.