Electron density and bonding at inverted carbon atoms: An experimental study of a [1.1.1]propellane derivative

Electron density and bonding at inverted carbon atoms: An experimental study of a [1.1.1]propellane derivative
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DOI:
10.1002/anie.200500169
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发表时间:
2005-01-01
影响因子:
16.6
通讯作者:
Luger, P
Luger, P
中科院分区:
化学1区
文献类型:
--
作者:
Messerschmidt, M;Scheins, S;Luger, P

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高分辨率衍射实验需要同步辐射来确定电子密度并分析新[1.1]的拓扑结构。1]螺桨烷衍生物在”倒置”桥头原子C4 → C4 a(见图)之间发现了一个具有显著电子密度的键临界点的键路径,这是共价键的特征;然而,在键临界点没有看到电荷积累。(化学方程式)
Synchrotron radiation was required for high-resolution diffraction experiments to determine the electron density and analyze the topology of a new [1.1. 1] propellane derivative. A bond path with a bond critical point of significant electron density was found between the" inverted" bridgehead atoms C4⋯ C4a (see picture), which is characteristic for a covalent bond; however, no charge accumulation at the bond critical point was seen.(Chemical Equation Presented)