π-Complexes incorporating tetrakis(phenylethynyl)ethene
π-Complexes incorporating tetrakis(phenylethynyl)ethene
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包含四（苯乙炔基）乙烯的 π 络合物
DOI：
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发表时间：
1995
期刊：
影响因子：
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通讯作者：
F. Diederich
中科院分区：
文献类型：
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作者：
D. Philp;V. Gramlich;P. Seiler;F. Diederich
四（苯乙炔基）乙烯和π受体2，4，7-三硝基芴-9-酮和（2，4，7-三硝基芴-9-亚基）丙二腈在固态下形成高度有序的给体-受体π络合物，其化学计量比为1：2。在溶液中，形成相对较弱的1：1复合物，其稳定性与供体苯环的空间布置有关，而不是与供体-受体对的HOMO-LUMO相互作用有关。在固体状态下，供体相对于受体的取向与络合物的每个组分上的原子中心点电荷显示出良好的相关性。然而，施主HOMO和受主LUMO的轨道系数之间的相关性非常差，这表明固态结构由静电相互作用主导。
Tetrakis(phenylethynyl)ethene and the π-acceptors 2,4,7-trinitrofluoren-9-one and (2,4,7-trinitrofluoren-9-ylidene)malononitrile form highly ordered donor–acceptor π-complexes having 1:2 stoichiometry in the solid state. In solution, relatively weak 1:1 complexes are formed whose stabilities are related to the spatial disposition of the donor phenyl rings rather than the HOMO–LUMO interactions of the donor–acceptor pair. The orientation of the donor with respect to the acceptor in the solid state shows a good correlation with the atom-centred point charges on each component of the complex. However, there is a very poor correlation between the orbital coefficients of the donor HOMO and the acceptor LUMO suggesting that the solid state structure is dominated by electrostatic interactions.