Embedding a Planar Hypercoordinate Carbon Atom into a [4n+2] π-System.,ChemPhysChem

当前位置： X-MOL 学术 › ChemPhysChem › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Embedding a Planar Hypercoordinate Carbon Atom into a [4n+2] π-System.
ChemPhysChem ( IF 2.3 ) Pub Date : 2019-12-19 , DOI: 10.1002/cphc.201900998
Osvaldo Yañez ₁ , Rodrigo Báez-Grez ₁ , Jorge Garza ₂ , Sudip Pan ₃ , Jorge Barroso ₄ , Alejandro Vásquez-Espinal _{1,

4} , Gabriel Merino ₄ , William Tiznado ₁

Affiliation

Through delicate tuning of the electronic structure, we report herein a rational design of seventeen new putative global minimum energy structures containing a planar tetra‐ or pentacoordinate carbon atom embedded in an aromatic hydrocarbon. These structures are the result of replacing three consecutive hydrogen atoms of an aromatic hydrocarbon by less electronegative groups, forming a multicenter σ‐bond with the planar hypercoordinate carbon atom and participating in the π‐electron delocalization. This strategy that maximizes both mechanical and electronic effects through aromatic architectures can be extended to several molecular combinations to achieve new and diverse compounds containing planar hypercoordinate carbon centers.

中文翻译：

将平面超坐标碳原子嵌入到[4n + 2]π系统中。

通过对电子结构的微调，我们在此报告了十七种新的假定的全局最小能量结构的合理设计，这些结构包含嵌入芳族烃中的平面四或五配位碳原子。这些结构是用较少的负电性基团取代芳香烃的三个连续氢原子，与平面超配位碳原子形成多中心σ键并参与π电子离域的结果。通过芳香族结构最大化机械和电子效应的这一策略可以扩展到几种分子组合，以实现包含平面超坐标碳中心的新型化合物。

更新日期：2019-12-19

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11