Capture of Bridging Imido and Azavinylidene Intermediates Engaged in Nitrogen Functionality Changes from Primary Azide to Nitrile on a Copper Surface
| Autor: | Kuo-Chen Ma, Shin-Mou Wu, Cheng-Hung Cheng, Chao-Ming Chiang, Yu-Chun Wang, Pao-Tao Yu |
|---|---|
| Rok vydání: | 2013 |
| Předmět: |
Degree of unsaturation
Nitrile chemistry.chemical_element Photochemistry Nitrogen Copper Surfaces Coatings and Films Electronic Optical and Magnetic Materials Metal chemistry.chemical_compound General Energy chemistry visual_art visual_art.visual_art_medium Density functional theory Azide Physical and Theoretical Chemistry Bond cleavage |
| Zdroj: | The Journal of Physical Chemistry C. 117:20784-20790 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/jp407434z |
| Popis: | Various nitrogen-based bridging ligands at the sites of a Cu(111) surface, including μ3-imido and μ2-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–N2 bond scission, the sequential β-hydrogen eliminations, and the alterations of the NC unsaturation, illustrates rich information about structures and transformations of N-donor ligands. |
| Databáze: | OpenAIRE |
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