| 包含平面四价碳的一个新家族(英文) |
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| 引用本文： | 史福强.包含平面四价碳的一个新家族(英文)[J].贵州大学学报(自然科学版),2010,27(3):32-39. |
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| 作者姓名： | 史福强 |
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| 作者单位： | 贵州大学精细化工研究开发中心,贵州,贵阳,550025 |
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| 摘 要： | 本文预测一类由碱土金属包围的含平面四价碳的新化合物,通过原子轨道分析和对键临界点的拓扑电子密度分析分别研究了其电荷稳定和成键情况。并且研究了分子的磁性质。这些包含平面四价碳的分子体系通过电子和力学性质得以稳定。D4hSi4B4H4还可以用来稳定平面四价氮离子。
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| 关 键 词： | 平面四价碳 密度泛函理论 核无关化学位移 |
M4B4H4C (M=Si, Ge, Sn, and Pb):A New Family of Molecules Containing Planar Tetracoordinate Carbon |
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| SHI Fu-qiang.M4B4H4C (M=Si, Ge, Sn, and Pb):A New Family of Molecules Containing Planar Tetracoordinate Carbon[J].Journal of Guizhou University(Natural Science),2010,27(3):32-39. |
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| Authors: | SHI Fu-qiang |
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| Institution: | SHI Fu-qiang(Center for Research and Development of Fine Chemicals,Guizhou University,Guiyang,550025,China) |
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| Abstract: | A new family of molecules containing planar tetracoordinate carbon enclosed by group 14 elements was reported. The electronic stabilization and bonding situation were studied through the analyses of molecular orbitals and the electron density at bond critical points. The magnetic properties were also investigated. These square planar systems containing planar tetracoordinate carbon centers, which were stabilized by both electronic and mechanical factors, were reported for the first time. The D4h Si4B4H4 can also be applied to stabilize planar tetracoordinate nitrogen. |
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| Keywords: | Planar Tetracoordinate Carbon Density Functional Theory nucleus independent chemical shifts |
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