Hexacoordinate bonding and aromaticity in silicon phthalocyanine

Yang Y.

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Hexacoordinate bonding and aromaticity in silicon phthalocyanine

机译：硅酞菁的六配位键合和芳香性

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Si-E bondings in hexacoordinate silicon phthalocyanine were analyzed using bond order (BO), energy partition, atoms in molecules (AIM), electron localization function (ELF), and localized orbital locator (LOL). Bond models were proposed to explain differences between hexacoordinate and tetracoordinate Si-E bondings. Aromaticity of silicon phthalocyanine was investigated using nucleus-independent chemical shift (NICS), harmonic oscillator model of aromaticity (HOMA), conceptual density functional theory (DFT), ring critical point (RCP) descriptors, and delocalization index (DI). Structure, energy, bonding, and aromaticity of tetracoordinate silicon phthalocyanine were studied and compared with hexacoordinate one.

机译：使用键序（BO），能量分配，分子中的原子（AIM），电子定位功能（ELF）和局部轨道定位器（LOL）分析了六配位硅酞菁中的Si-E键。提出了键模型来解释六配位和四配位Si-E键之间的差异。使用原子核无关化学位移（NICS），芳香族谐波振荡器模型（HOMA），概念密度泛函理论（DFT），环临界点（RCP）描述符和离域指数（DI）研究了硅酞菁的芳香性。研究了四配位硅酞菁的结构，能量，键合和芳香性，并与六配位硅酞菁进行了比较。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2010年第50期|共11页
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Yang Y.;
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1. Hexacoordinate bonding and aromaticity in silicon phthalocyanine [J] . Yang Y. The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2010,第50期

机译：硅酞菁的六配位键合和芳香性
2. Spin coupling through the N -> Si dative bond in penta- and hexacoordinate hydrido- and fluorosilicon complexes; Coupling through a rapidly dissociating-recombining N -> Si bond [J] . Kalikhman I, Gostevskii B, Kingston V, Organometallics . 2004,第21期

机译：通过五配位和六配位的氢化硅和氟硅络合物中的N-> Si基键自旋耦合;通过快速解离的N-> Si键进行偶联
3. Two-Dimensional Cu_2Si Monolayer with Planar Hexacoordinate Copper and Silicon Bonding [J] . Li-Ming Yang, Vladimir Bacic, Ivan A. Popov, Journal of the American Chemical Society . 2015,第7期

机译：平面六配位铜和硅键合的二维Cu_2Si单层
4. Room temperature measurements of aromatic hydrocarbons by QCM-based gas sensors: intercomparison between phthalocyanines and phthalocyanine/CNTs hybrid material [C] . Abhishek Kumar, Jerome Brunet, Christelle Varenne Eurosensors (Conerence) . 2015

机译：基于QCM的气体传感器的芳烃室温测量芳烃：酞菁和酞菁/ CNTS杂化材料之间的相互比较
5. (I) PREPARATION AND PROPERTIES OF SILICON HEMIPORPHYRAZINES. (II) STRATEGIES TO SIMPLIFY THE ROUTE TO PHTHALOCYANINES WITH BETA, BETA'-FUSED LINEARLY ANNELLATED POLYCYCLIC AROMATIC RINGS [D] . DIRK, CARL WILLIAM. 1983

机译：（I）硅半卟啉的制备和性质。（II）使用β-β-融合线性环化多环芳族环的β-酞菁简化路线的策略
6. Crystal structures of bis(phenoxy)silicon phthalocyanines: increasing π–π interactions solubility and disorder and no halogen bonding observed [O] . Benoît H. Lessard, Alan J. Lough, Timothy P. Bender 2016

机译：双（苯氧基）硅酞菁晶体结构：π-π相互作用增加溶解度和无序性增加并且未观察到卤素键
7. Photo-Driven Si-C Bond Cleavage in Hexacoordinate Silicon Complexes [O] . Wagler, Jörg, Roewer, Gerhard, Gerlach, Daniela 2009

机译：六配位硅络合物中的光驱动Si-C键裂解
8. Synthesis and characterization of novel spiro penta- and hexacoordinate anionic polysiliconate and polygermylate ionomers derived from the condensation of ((plus minus)) 5,5(prime), 6,6(prime) - Tetrahydroxy-1,1(prime) - spiro-bis(Indane) with trialkoxysi [R] . Small, J. H., Shea, K. J., Loy, D. A., 1993

机译：新型螺五 - 和六配位阴离子多晶硅酸盐和多聚肌酸盐离聚物的合成和表征，衍生自（（正负））5,5（素），6,6（素） - 四羟基-1,1（素） - 螺的缩合-bis（Indane）与trialkoxysi

Hexacoordinate bonding and aromaticity in silicon phthalocyanine

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