化学
环戊烷
直接的
单一债券
反键分子轨道
分子
分子轨道
共价键
结晶学
单重态
化学键
四键
计算化学
化学物理
原子轨道
债券定单
电子
立体化学
原子物理学
有机化学
粘结长度
烷基
激发态
物理
量子力学
作者
Qian Liu,Keita Onishi,Y. Miyazawa,Zhe Wang,Sayaka Hatano,Manabu Abe
摘要
Carbon–carbon σ-single bonds are crucial for constructing molecules like ethane derivatives (R3C–CR3), which are composed of tetrahedral four-coordinate carbons. Molecular functions, such as light absorption or emission, originate from the π-bonds existing in ethylene derivatives (R2C═CR2). In this study, a relatively stable cyclopentane-1,3-diyl species with π-single bonding system (C−π–C) with planar four-coordinate carbons is constructed. This diradicaloid is energetically more stable than the corresponding σ-single bonding system. The π-electron single bonding system provides deeper insights into the chemical bonding and the physical properties derived from the small energy gaps between the bonding and antibonding molecular orbitals.
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