Synthesis and structural characterization of two rotationally flexible bis(benzoxaphosphole)s
Synthesis and structural characterization of two rotationally flexible bis(benzoxaphosphole)s
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DOI：
10.1080/10426507.2021.2011887
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发表时间：
2021-11-26
影响因子：
1.3
通讯作者：
Protasiewicz, John D.
中科院分区：
文献类型：
--
作者：
Ekstrom, Zakary T.;Rheingold, Arnold L.;Protasiewicz, John D.
制备了两个双（苯并膦孔）s, 2,2 '-二苯基-7,7 '-双苯并[d][1,3]苯并膦孔(1)和1,1 '-双（2-苯并[d][1,3]苯并膦孔）二茂铁(2)，并对其进行了充分的表征，包括用单晶x射线衍射方法进行了结构表征。通过DFT计算，化合物1具有连接CC键的灵活性。2的结构采用固态的配置，其中两个防喷器单元保持在很近的距离，可能是由于pi堆叠相互作用。在紫外光照射下，化合物1呈蓝色荧光，在THF中的量子产率为18%。而化合物2没有明显的发射，这是由于二茂铁的激发态猝灭能力。
Two bis(benzoxaphosphole)s, 2,2 '-diphenyl-7,7 '-bibenzo[d][1,3]benzoxaphosphole (1) and 1,1 '-bis(2-benzo[d][1,3]oxaphosphole)ferrocene (2) have been prepared and fully characterized, including structural characterization by single crystal X-ray diffraction methods. Compound 1 has flexibility about the connecting CC bond as evaluated by DFT calculations. The structure of 2 adopts a configuration in the solid state whereby the two BOP units are held in close proximity, presumably due to pi-stacking interactions. Under UV irradiation compound 1 is blue fluorescent with a quantum yield of 18% in THF. Compound 2, however, displays no significant emission, which is attributed to ferrocene's excited state quenching ability.