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Substituent impact of B, Si, or P main group elements on the photophysical properties of phenyleneethynylenes
Heteroatom Chemistry ( IF 0.3 ) Pub Date : 2016-10-07 , DOI: 10.1002/hc.21350
Takanobu Sanji 1 , Akemi Fuchigami 1 , Masato Tanaka 1
Affiliation  

The synthesis and photophysical properties of a series of phenyleneethynylenes containing a main group element moiety of B, Si, or P on the side chain as a simple model are reported. The HOMO-LUMO energy levels are significantly altered due to a rise of the HOMO level (P) or a lowering of the LUMO level (B and PO) compared with the parent phenyleneethynylene, which is also supported by density functional theory calculations. In addition, the optical properties of boron- and phosphorus-containing π systems are dramatically changed by the coordination of fluoride ion and oxidation, respectively.

中文翻译:

B、Si或P主族元素的取代基对苯乙炔光物理性质的影响

报道了作为简单模型在侧链上包含 B、Si 或 P 主族元素部分的一系列苯乙炔的合成和光物理性质。与母体苯乙炔相比,由于 HOMO 能级 (P) 的升高或 LUMO 能级(B 和 PO)的降低,HOMO-LUMO 能级发生了显着变化,这也得到了密度泛函理论计算的支持。此外,含硼和含磷 π 系统的光学性质分别因氟离子和氧化的配位而发生显着变化。
更新日期:2016-10-07
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