A Definitive Answer to a Bonding Quandary? The Role of One-Electron Resonance Structures in the Bonding of a {Cu3S2}(3+) Core

Berry JF

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A Definitive Answer to a Bonding Quandary? The Role of One-Electron Resonance Structures in the Bonding of a {Cu3S2}(3+) Core

机译：关于键合难题的明确答案？单电子共振结构在{Cu3S2}（3+）核键合中的作用

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Recently, this journal published a lively debate[1] between Santiago Alvarez, Roald Hoffmann, and Carlo Mealli about the electronic structure of a trigonally symmetric complex with a {Cu3S2}3+ core (1) shown in Figure 1, which was first synthesized by the Tolman group.[2] This complex is not only an interesting model for biologically important copper-sulfur clusters, but also poses inherent problems in its electronic structure and its relationship to the salient structural and magnetic features of the compound.

机译：最近，该杂志发表了圣地亚哥·阿尔瓦雷斯（Santiago Alvarez），罗尔德·霍夫曼（Roald Hoffmann）和卡洛·梅亚利（Carlo Mealli）之间的激烈辩论[1]，涉及具有{Cu3S2} 3+核（1）的三角对称复合物（1）的电子结构，该结构首先被合成由托尔曼小组提出。[2]该络合物不仅是重要的生物学上重要的铜硫簇的模型，而且在其电子结构以及与化合物的突出结构和磁性特征之间的关系方面也存在固有的问题。

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《Chemistry: A European journal》 |2010年第9期|共6页
作者
Berry JF;
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正文语种 eng
中图分类应用化学;
关键词
relationship; structure; relationship;

机译：关系;结构;关系;

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1. A Definitive Answer to a Bonding Quandary? The Role of One-Electron Resonance Structures in the Bonding of a {Cu3S2}(3+) Core [J] . Berry JF Chemistry: A European journal . 2010,第9期

机译：关于键合难题的明确答案？单电子共振结构在{Cu3S2}（3+）核键合中的作用
2. Bonding quandary in the [Cu_3S_2]~(3+) core: Insights from the analysis of domain averaged fermi holes and the local spin [J] . Ponec R., Ramos-Cordoba E., Salvador P. The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2013,第9期

机译：[Cu_3S_2]〜（3+）核中的键合级数：通过对域平均费米空穴和局部自旋的分析得出的见解
3. Unpaired and sigma Bond Electrons as H,Cl,and Li Bond Acceptors:An Anomalous One-Electron Blue-Shifting Chlorine Bond [J] . B.Raghavendra, E.Arunan The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2007,第39期

机译：作为H，Cl和Li键受体的不成对和sigma键电子：异常的单电子蓝移氯键
4. Designing 3D test wrappers for pre-bond and post-bond test of 3D embedded cores [C] . 2011 IEEE 29th International Conference on Computer Design . 2011

机译：设计用于3D嵌入式内核的预粘合和粘合后测试的3D测试包装
5. Electronic structure investigations of multiple bonding between atoms: From metal-nitrogen triple bonds to metal-metal triple and quadruple bonds. [D] . English, Jason Blaine. 2002

机译：原子之间多重键的电子结构研究：从金属-氮三键到金属-金属三键和四键。
6. Solution 1H nuclear magnetic resonance determination of the distal pocket structure of cyanomet complexes of genetically engineered sperm whale myoglobin His64 (E7)--Val Thr67 (E10)--Arg. The role of distal hydrogen bonding by Arg67 (E10) in modulating ligand tilt. [O] . J Qin, G N La Mar, F Cutruzzolá, 1993

机译：解决方案1H核磁共振测定基因改造的抹香鲸肌红蛋白His64（E7）- ValThr67（E10）- Arg的蓝藻复合物的远端口袋结构。 Arg67（E10）远端氢键在调节配体倾斜中的作用。
7. Four-Electron Three-Center Bonding: One-Electron and Concerted Two-Electron Delocalizations into Bonding and Antibonding Molecular Orbitals [O] . Richard D. Harcourt 2003

机译：四电子三中心粘合：单电子和齐齐的双电子浸润成键合和抗抗抗体分子轨道
8. Measuring Core/Facesheet Bond Toughness in Honeycomb Sandwich Structures [R] . Nettles, A. T. 2006

机译：测量蜂窝夹层结构中的芯/面板粘结韧性

A Definitive Answer to a Bonding Quandary? The Role of One-Electron Resonance Structures in the Bonding of a {Cu3S2}(3+) Core

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