Capture of Bridging Imido and Azavinylidene Intermediates Engaged in Nitrogen Functionality Changes from Primary Azide to Nitrile on a Copper Surface

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• 作者：Cheng-Hung Cheng ; Pao-Tao Yu ; Kuo-Chen Ma ; Yu-Chun Wang ; Shin-Mou Wu ; Chao-Ming Chiang
• 刊名：Journal of Physical Chemistry C
• 出版年：2013
• 出版时间：October 10, 2013
• 年：2013
• 卷：117
• 期：40
• 页码：20784-20790
• 全文大小：555K
• 年卷期：v.117,no.40(October 10, 2013)
• ISSN：1932-7455

文摘

Various nitrogen-based bridging ligands at the sites of a Cu(111) surface, including 渭₃-imido and 渭₂-azavinylidene species, have been identified by surface-sensitive spectroscopies and density functional theory (DFT) calculations. The isolated intermediates demonstrate how several metal atoms acting in concert can usher the conversion from a primary azide into a nitrile end-product. The collection of mechanistic details, the N鈥揘₂ bond scission, the sequential 尾-hydrogen eliminations, and the alterations of the NC unsaturation, illustrates rich information about structures and transformations of N-donor ligands.