Structure and Bonding in Neutral and Cationic 14-Electron Gold Alkyne π Complexes

Susanne Flugge; Anakuthil Anoop; Richard Goddard; Walter Thiel; Alois Furstner

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Structure and Bonding in Neutral and Cationic 14-Electron Gold Alkyne π Complexes

机译：中性和阳离子14电子金炔π配合物的结构和键合

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Cyclododecyne (5) as a prototype unstrained alkyne was coordinated to either the neutral [AuCl] fragment or to two different cationic [Au-ACHTUNGTRENUNG(NHC)]+ entities (NHC=N-heterocyclic carbene), and the resulting complexes 6, 8, and 10 were characterized by X-ray crystallography and NMR spectroscopy. Since the structure of cyclododecyne in the solid state could also be obtained after in situ crystallization, a comparison was possible that provides insights into structural changes imposed on the alkyne by the different gold fragments. These data are interpreted on the basis of a DFT analysis of the bonding situation in the individual compounds, which provides insights into the very first elementary step common to many gold-atalyzed transformations.

机译：环十二碳烯（5）作为原型未应变炔烃与中性[AuCl]片段或两个不同的阳离子[Au-ACHTUNGTRENUNG（NHC）] +实体（NHC = N-杂环卡宾）配位，得到的配合物6，8 X射线晶体学和NMR光谱对10和10进行了表征。由于也可以在原位结晶后获得固态的环十二碳烯的结构，因此可以进行比较，以了解不同金碎片对炔烃的结构变化。这些数据是在对单个化合物的键合情况进行DFT分析的基础上进行解释的，该分析提供了许多金催化的转化所共有的第一个基本步骤的见解。

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《Chemistry: A European journal》 |2009年第34期|共8页
作者
Susanne Flugge; Anakuthil Anoop; Richard Goddard; Walter Thiel; Alois Furstner;
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正文语种 eng
中图分类 540E0070;
关键词
alkyne ligands; alkynes; carbene ligands; density functional calculations; gold;

机译：炔配体;炔;卡宾配体;密度泛函计算;金;

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1. Structure and Bonding in Neutral and Cationic 14-Electron Gold Alkyne π Complexes [J] . Susanne Flugge, Anakuthil Anoop, Richard Goddard, Chemistry: A European journal . 2009,第34期

机译：中性和阳离子14电子金炔π配合物的结构和键合
2. CATIONIC VINYLIDENE-BRIDGED COMPLEXES AND THEIR REACTIONS WITH ALKYNES TO YIELD EITHER ALKYNE- AND VINYLIDENE-BRIDGED OR BIS(VINYLIDENE) PRODUCTS - FACILE INTERCONVERSION BETWEEN TERMINAL AND BRIDGING VINYLIDENE BONDING MODES [J] . Wang LS., Cowie M. Organometallics . 1995,第6期

机译：阳离子亚乙烯基桥接的络合物及其与烯烃反应生成的乙烯和亚乙烯基桥接或双（乙烯基）产物-末端和桥接乙烯基键合模式的容易相互转化
3. Structure and Bonding in a series of Neutral and Cationic Transition Metal-Benzene #eta#~6 Complexes [M(#eta#~6-C_6H_6)]~(n+) (M=Ti, V, Cr, Fe, Co, Ni, and Cu). Correlation of Charge Transfer with the Bathochromic Shift of the E_1 Ring Vibration [J] . Patrick Chaquin, Dominique Costa, Christine Lepetit, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2001,第18期

机译：一系列中性和阳离子过渡金属-苯＃eta＃〜6配合物[M（＃eta＃〜6-C_6H_6）]〜（n +）（M = Ti，V，Cr，Fe，Co，Ni和Cu）。电荷转移与E_1环振动的红移相关
4. Formation of Diphosphine-Protected Gold Clusters: Cationic Cluster Formation from Digold Complexes as a Platform for Growth [C] . John Pettibone, Jeffrey W. Hudgens, Thomas Senftle, American Society for Mass Spectrometry Conference on Mass Spectrometry and Allied Topics . 2011

机译：二膦保护金簇的形成：从Digold Compleases作为生长平台的阳离子簇形成
5. Alkyne hydrosilylation with cationic cyclopentadienylruthenium complexes: Scope, mechanism, and synthetic applications of a metal-catalyzed trans addition process. [D] . Ball, Zachary Thomas. 2005

机译：阳离子环戊二烯基钌配合物的炔烃氢化硅烷化：金属催化的反式加成过程的范围，机理和合成应用。
6. Catalytic Hydroamination of Alkynes and Norbornene with Neutral and Cationic Tantalum Imido Complexes [O] . Laura L. Anderson, John Arnold, Robert G. Bergman -1

机译：中性和阳离子钽亚胺配合物对炔烃和降冰片烯的催化加氢胺化
7. Thermally Stable Gold(III) Alkene and Alkyne Complexes: Synthesis, Structures, and Assessment of the trans -Influence on Gold-Ligand Bond Enthalpies [O] . Isabelle Chambrier, Luca Rocchigiani, David L. Hughes, 2018

机译：热稳定的金（III）烯烃和炔醇络合物：在金配体键焓上的跨越式逆流的合成，结构和评估
8. Formation of Sixteen-Electron Alkyne Complexes by Reaction of Halogeno(Tricarbonyl) (eta5-Cyclopentadienyl)-Molybdenum and -Tungsten Complexes with Alkynes; Crystal and Molecular Structure of (WCl (CF3C2CF3) sub 2-(eta5-C5H5)). [R] . Davidson, J. L., Green, M., Gordon, F., 1975

机译：通过卤素（三羰基）（η5-环戊二烯基） - 钼和钨配合物与炔烃的反应形成16-电子炔烃配合物; （WCl（CF3C2CF3）sub 2-（eta5-C5H5））的晶体和分子结构。

Structure and Bonding in Neutral and Cationic 14-Electron Gold Alkyne π Complexes

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