Flat-structural Motives in Small Alumino-Carbon Clusters C_nAl_m(n=2-3,m=2-8)

Fedor Y.Naumkin

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Flat-structural Motives in Small Alumino-Carbon Clusters C_nAl_m(n=2-3,m=2-8)

机译：小型铝碳团簇的平面结构动机C_nAl_m（n = 2-3，m = 2-8）

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Small clusters consisting of a carbon diatom or triatom and several aluminum atoms are investigated ab initio,at an MP2 level of theory.The mainly ionic character of C-Al bonding predominantly leads to structures different from corresponding hydrocarbons(also if starting from analogous initial geometries),while still producing closed-shell ground states.It is found that in many cases stable geometries correspond to flat CAl3 units.These include unique metal-framed dicarbon and tricarbon all-flat species with unusual planar tetra-coordination.Another frequent feature is a hyper-coordination of carbon atoms,supported by their high negative charges and critically examined via atom-in-molecule calculations.Also characterized are anionic states,electronic excitation and ionization,electron attachment and detachment,and charge distributions.

机译：从MP2的理论水平开始研究了由碳硅原子或三原子和几个铝原子组成的小团簇.C-Al键的主要离子特征主要导致结构不同于相应的碳氢化合物（如果从相似的初始几何结构开始也是如此）），同时仍然产生闭壳基态。在许多情况下，发现稳定的几何形状对应于平坦的CAl3单元，包括独特的金属骨架二碳和三碳全平面物种，具有不寻常的平面四配位。另一个常见特征是碳原子的超配位，由其高负电荷支持，并通过分子内原子计算进行严格检查。其特征还包括阴离子态，电子激发和电离，电子附着和脱离以及电荷分布。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2008年第20期|共9页
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Fedor Y.Naumkin;
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1. Flat-structural Motives in Small Alumino-Carbon Clusters C_nAl_m(n=2-3,m=2-8) [J] . Fedor Y.Naumkin The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2008,第20期

机译：小型铝碳团簇的平面结构动机C_nAl_m（n = 2-3，m = 2-8）
2. Specificity of S fimbriae on recombinant Escherichia coli: preferential binding to gangliosides expressing NeuGc alpha (2-3)Gal and NeuAc alpha (2-8)NeuAc. [J] . F G Hanisch, J Hacker, H Schroten Infection and immunity . 1993,第5期

机译：菌毛对重组大肠杆菌的特异性：优先结合表达NeuGcα（2-3）Gal和NeuAcα（2-8）NeuAc的神经节苷脂。
3. Specificity of S fimbriae on recombinant Escherichia coli: preferential binding to gangliosides expressing NeuGc alpha (2-3)Gal and NeuAc alpha (2-8)NeuAc. [J] . F G Hanisch, J Hacker, H Schroten Infection and immunity . 1993,第5期

机译：菌毛对重组大肠杆菌的特异性：优先结合表达NeuGcα（2-3）Gal和NeuAcα（2-8）NeuAc的神经节苷脂。
4. DFT Investigation on Structure, Electronic and Magnetic Properties of Cr_n (n=2-8) Clusters [C] . Esha V. Shah, Vipin Kumar, Debesh R. Roy International Conference on Condensed Matter and Applied Physics . 2016

机译：CR_N（n = 2-8）集群的结构，电子和磁性特性的DFT调查
5. Cluster Profiles of the Drinking Motives in a Sample of Firefighters and EMTs [D] . Muniz, Joshua A. 2020

机译：消防员和EMTS样本中的饮酒动机的集群概况
6. Specificity of S fimbriae on recombinant Escherichia coli: preferential binding to gangliosides expressing NeuGc alpha (2-3)Gal and NeuAc alpha (2-8)NeuAc. [O] . F G Hanisch, J Hacker, H Schroten 1993

机译：菌毛对重组大肠杆菌的特异性：优先结合表达NeuGcα（2-3）Gal和NeuAcα（2-8）NeuAc的神经节苷脂。
7. Specificity of S fimbriae on recombinant Escherichia coli: preferential binding to gangliosides expressing NeuGc alpha (2-3)Gal and NeuAc alpha (2-8)NeuAc [O] . F G Hanisch, J Hacker, H Schroten 1993

机译：重组大肠杆菌的S FIMBRIAE的特异性：表达Neugcα（2-3）Gal和Neuacα（2-8）Neuac的神经节苷脂优先结合
8. Reactions at the Rhodium Vertex of a Rhodacarborane Cluster. Preparation, Crystal and Solution Structure, and Reactions of 3,3-(Ph3P)2-3(HSO)4-3,1,2-RhC2B9H11.O(C2H5)2. [R] . Kalb, W. C., Teller, R. G., Hawthorne, M. F. 1979

机译：Rhodacarborane簇的铑顶点的反应。 3,3-（ph3p）2-3（HsO）4-3,1,2-RhC2B9H11.O（C2H5）2的制备，晶体和溶液结构以及反应。

Flat-structural Motives in Small Alumino-Carbon Clusters C_nAl_m(n=2-3,m=2-8)

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