基于磷代烯基的中性 PNP 钳形配体的合成、结构及 π 离域

Orthaber Andreas, Belaj Ferdinand, Pietschnig Rudolf

Karl-Franzens-University, Department of Chemistry, Schuberststraße 1, A-8010 Graz, Austria.

Inorganica Chim Acta. 2011 Aug 1;374(1):211-215. doi: 10.1016/j.ica.2011.02.078.

Preparation, characterization and structural properties of a novel bis-phosphaalkenyl based PNP-pincer are reported. In this pincer the π-system is delocalized over all three donor sites, which was demonstrated with DFT calculations, UV-Vis measurements and structural findings. As a consequence of this extended delocalization the π-system reveals near coplanarity which is evident from the first crystal structure for an uncomplexed bisphosphaalkenyl PNP-pincer.

报道了一种新型双磷杂烯基PNP钳形配体的制备、表征及其结构性质。在该钳形配体中，π-体系在所有三个供体位点上离域，这通过密度泛函理论（DFT）计算、紫外-可见光谱测量和结构研究得到了证实。这种扩展离域的结果是，π-体系呈现出近乎共面性，这从未配位的双磷杂烯基PNP钳形配体的首个晶体结构中可以明显看出。