ESR Studies of the Conformation and Restricted Rotation of 4-Phenyl-1,3-dioxane Anion

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概要

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• The ESR of the 4-phenyl-1,3-dioxane anion shows a line-width alternation effect which can be attributed to the restricted rotation between the 1,3-dioxane and benzene rings. From the temperature dependence of the line-width alternation effect, the activation energy was determined to be 180±110 cal·mol<SUP>−1</SUP>. The preferential conformation between the two rings was estimated from the hyperfine splitting constant of the proton at the 4 position in the 1,3-dioxane ring, to be that where the two rings have some angle close to 90° rather than the structure where they are parallel. It was also found that an odd electron, which mainly occupies a vacant π orbital in the benzene ring, delocalizes appreciably into a part of the 1,3-dioxane ring.

• 公益社団法人 日本化学会の論文

著者

• Iwaizumi Masamoto

  The Chemical Research Institute of Non-Aqueous Solutions, Tohoku University

• Isobe Taro

  The Chemical Research Institute of Non-Aqueous Solution, Tohoku University

• Matsuzaki Takashi

  The Chemical Research Institute of Non-Aqueous Solutions, Tohoku University

関連論文

• ESR Studies of the Conformation and Restricted Rotation of 4-Phenyl-1,3-dioxane Anion
• ESR Studies of the Conformational Interconversion of the 9,10-Dihydrophenanthrene Radical Anion and Its Related Compounds
• The INDO and CNDO/2 SCF LCAO MO Calculation of Intermodular Forces and Their Pairwise Additivity
• On the Factors Determining the Molecular Arrangement in Crystalline Ethylene
• On the Role of the Quadrupole-quadrupole Interaction in the Molecular Arrangements in Crystalline Benzene

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