Jin Liqun, Melaimi Mohand, Kostenko Arseni, Karni Miriam, Apeloig Yitzhak, Moore Curtis E, Rheingold Arnold L, Bertrand Guy
UCSD-CNRS Joint Research Chemistry Laboratory (UMI 3555) , Department of Chemistry and Biochemistry , University of California San Diego , La Jolla , CA 92093-0358 , USA . Email:
Schulich Faculty of Chemistry , Technion - Israel Institute of Technology , Haifa 32000 , Israel.
Chem Sci. 2016 Jan 1;7(1):150-154. doi: 10.1039/c5sc03654b. Epub 2015 Nov 16.
The one-electron reduction of a cationic (allenylidene)[cyclic(alkyl) (amino)carbene]gold(i) complex leads to the corresponding neutral, paramagnetic, formally gold(0) complex. DFT calculations reveal that the spin density of this highly robust coinage metal complex is mainly located on the allenylidene fragment, with only 1.8 and 3.1% on the gold center and the CAAC ligand, respectively. In addition, the first homoleptic bis(allenylidene)gold(i) complex has been prepared and fully characterized.
阳离子（亚联烯基）[环（烷基）（氨基）卡宾]金（I）配合物的单电子还原生成相应的中性、顺磁性、形式上为金（0）的配合物。密度泛函理论计算表明，这种高度稳定的货币金属配合物的自旋密度主要位于亚联烯基片段上，金中心和CAAC配体上的自旋密度分别仅为1.8%和3.1%。此外，首个均配型双（亚联烯基）金（I）配合物已被制备并得到全面表征。
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