电友 - 竞技场亲和力:用于评估电友性脱氧化反应热力学的一种能量尺度

Wen-Wen Zhang1,2, Zuolijun Feng2, Shu-Li You1,2

  • 1Chang-Kung Chuang Institute, East China Normal University, 3663 N. Zhongshan Road, Shanghai 200062, China.

概括

研究人员开发了电友 - 竞技场亲和力 (EAA),电友 dearomatization反应的能量尺度. 这种尺度有助于设计新的合成反应,通过将热力学数据与分子性质相关联.

相关概念视频

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Thermal Electrocyclic Reactions: Stereochemistry

The stereochemistry of electrocyclic reactions is strongly influenced by the orbital symmetry of the polyene HOMO. Under thermal conditions, the reaction proceeds via the ground-state HOMO.
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The Diels–Alder reaction is thermally reversible, meaning that the reaction reverts to the starting diene and dienophile under suitable temperatures. The forward reaction gives a cyclohexene derivative and is favored at low to medium temperatures. The reverse process, also called retro-Diels–Alder reaction, is a ring-opening process favored at high temperatures.
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[4+2] Cycloaddition of Conjugated Dienes: Diels–Alder Reaction

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Addition and elimination...
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