On the reciprocal relationship between σ-hole bonding and (anti)aromaticity gain in ketocyclopolyenes.,Organic & Biomolecular Chemistry

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On the reciprocal relationship between σ-hole bonding and (anti)aromaticity gain in ketocyclopolyenes.
Organic & Biomolecular Chemistry ( IF 2.9 ) Pub Date : 2020-06-22 , DOI: 10.1039/d0ob01076f
Hari Ram Paudel ₁ , Lucas José Karas ₁ , Judy I-Chia Wu ₁

Affiliation

σ-Hole bonding interactions (e.g., tetrel, pnictogen, chalcogen, and halogen bonding) can polarize π-electrons to enhance cyclic [4n] π-electron delocalization (i.e., antiaromaticity gain) or cyclic [4n + 2] π-electron delocalization (i.e., aromaticity gain). Examples based on the ketocyclopolyenes: cyclopentadienone, tropone, and planar cyclononatetraenone are presented. Recognizing this relationship has implications, for example, for tuning the electronic properties of fulvene-based π-conjugated systems such as 9-fluorenone.

中文翻译：

酮-环多烯中σ-孔键与（反）芳香度增加之间的相互关系。

σ孔键相互作用（例如，铁硼酸酯，光子原，硫族元素和卤素键）可使π电子极化，从而增强环状[4 n ]π电子的离域作用（即抗芳香性增益）或环状[4 n + 2]π-电子离域（即芳香性增加）。给出了基于酮环多烯的实例：环戊二烯酮，托克酮和平面环壬酸酯烯酮。认识到这种关系具有意义，例如对于调节基于富勒烯的π共轭体系（例如9-芴酮）的电子性质。

更新日期：2020-07-15

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