Structure and stability of Si_6Li_6: Aromaticity vs polarizability

Santos J.C.; Contreras M.; Merino G.

首页> 外文期刊>Chemical Physics Letters >Structure and stability of Si_6Li_6: Aromaticity vs polarizability

【24h】

Structure and stability of Si_6Li_6: Aromaticity vs polarizability

机译：Si_6Li_6的结构和稳定性：芳香性与极化率

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

Detailed exploration of the Si_6Li_6 potential energy surface shows that the most stable form of such cluster is not planar, it is a tridimensional structure formed by a silicon tetrahedron interacting with a silicon dimer through four lithium atoms. In order to understand stability, both polarizability and aromaticity were used. Given that the most stable structure is non-planar, aromaticity evaluation is not easy. Gratifyingly, the minimum polarizability principle is satisfied.

机译：对Si_6Li_6势能表面的详细研究表明，这种簇的最稳定形式不是平面的，而是由硅四面体与硅二聚体通过四个锂原子相互作用形成的三维结构。为了理解稳定性，使用了极化率和芳香性。由于最稳定的结构是非平面的，因此芳香性评估并不容易。令人满意的是，满足了最小极化率原理。

著录项

来源
《Chemical Physics Letters》 |2010年第3期|共3页
作者
Santos J.C.; Contreras M.; Merino G.;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类
关键词

相似文献

外文文献
中文文献
专利

1. Structure and stability of Si_6Li_6: Aromaticity vs polarizability [J] . Santos J.C., Contreras M., Merino G. Chemical Physics Letters . 2010,第1a3期

机译：Si_6Li_6的结构和稳定性：芳香性与极化率
2. Stability and Reactivity of All-Metal Aromatic and Antiaromatic Systems in Light of the Principles of Maximum Hardness and Minimum Polarizability [J] . P.K.Chattaraj, D.R.Roy, M.Elango, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2005,第42期

机译：根据最大硬度和最小极化率的原理，全金属芳族和抗芳族体系的稳定性和反应性
3. Structure, stability, dipole polarizability and differential polarizability in small gallium arsenide clusters from all-electron ab initio and density-functional-theory calculations [J] . Karamanis Panaghiotis, Pouchan Claude, Maroulis George Physical Review, A. Atomic, molecular, and optical physics . 2008,第1aPta1期

机译：通过全电子从头算和密度泛函理论计算得出小砷化镓簇中的结构，稳定性，偶极极化率和微分极化率
4. Multi-dimensional switching of Ring Currents in Nonplanar Chiral Aromatic Molecules by Ultrashort Linearly Polarized UV Laser Pulses [C] . Hirobumi Mineo, Sheng H. Lin, Yuichi Fujimura International Conference on Materials and Applications for Sensors and Transducers . 2015

机译：Ultrashort线性偏振UV激光脉冲非平面手性芳族分子中环电流的多维切换
5. A study of the spin structure of the neutron in deep inelastic scattering of polarized electrons on polarized neutrons. [D] . Spengos, Michael Spyro. 1994

机译：极化电子在极化中子上的深度非弹性散射中中子自旋结构的研究。
6. The Key to the Extraordinary Thermal Stability of P. furiosus Holo-Rubredoxin: Iron Binding-Guided Packing of a Core Aromatic Cluster Responsible for High Kinetic Stability of the Native Structure [O] . Satya Prakash, Monica Sundd, Purnananda Guptasarma -1

机译：P. furiosus Holo-Rubredoxin的非凡热稳定性的关键：负责天然结构的高动力学稳定性的核心芳香簇的铁结合引导填料
7. Ab Initio and DFT Study of the Geometric Structures and Static Dipole (Hyper)polarizabilities of Aromatic Anions [O] . -1

机译：AB Initio和DFT研究对芳香阴离子的几何结构和静电偶极子（HEAD）偏振性

Structure and stability of Si_6Li_6: Aromaticity vs polarizability

摘要

著录项

相似文献

相关主题

期刊订阅