A novel D-π-A type α-cyanostilbenzene derivative,（Z）-2-（4-aminophenyl）-3-（4-bromophenyl）-acrylonitrile（ABAN）, was designed and synthesized, by introducing an electrondonating amino group and a heavy atom. Th...A novel D-π-A type α-cyanostilbenzene derivative,（Z）-2-（4-aminophenyl）-3-（4-bromophenyl）-acrylonitrile（ABAN）, was designed and synthesized, by introducing an electrondonating amino group and a heavy atom. The structure of ABAN was confirmed by FT-IR, 1H NMR, 13 C NMR spectra and single-crystal X-ray diffraction analysis. The ABAN is of orthorhombic system, space group P212121, with a = 8.6100（14）, b = 9.6923（16）, c = 15.705（3） , Mr = 299.17, V = 1310.6（4） 3, Z = 4, Dc = 1.516 g/cm-3, μ = 3.119 mm-1, F（000） = 600, Rint = 0.038, R（I 〉 2σ（I）） = 0.0276, w R（I 〉 2σ（I）） = 0.0628, R（all data） = 0.0324, wR（all data） = 0.0646, completeness to theta = 25.00 was 99.8% and GOOF = 1.04. In the crystal structure, ABAN molecules were linked with each other through intermolecular C–H···π interactions and N–H···N hydrogen bonds, by which the 1D chain, 2D plane and 3D stacking structures were constructed. The photophysical properties and calculation results confirmed that ABAN possessed an intramolecular charge transfer（ICT） process. ABAN could be applied into the optoelectronic material field due to good solvent-tuned photophysical properties and highly thermal stability.展开更多
基金Supported by the Educational Commission of Anhui Province(KJ2014ZD02)the National Natural Science Foundation of China(51432001)
文摘A novel D-π-A type α-cyanostilbenzene derivative,（Z）-2-（4-aminophenyl）-3-（4-bromophenyl）-acrylonitrile（ABAN）, was designed and synthesized, by introducing an electrondonating amino group and a heavy atom. The structure of ABAN was confirmed by FT-IR, 1H NMR, 13 C NMR spectra and single-crystal X-ray diffraction analysis. The ABAN is of orthorhombic system, space group P212121, with a = 8.6100（14）, b = 9.6923（16）, c = 15.705（3） , Mr = 299.17, V = 1310.6（4） 3, Z = 4, Dc = 1.516 g/cm-3, μ = 3.119 mm-1, F（000） = 600, Rint = 0.038, R（I 〉 2σ（I）） = 0.0276, w R（I 〉 2σ（I）） = 0.0628, R（all data） = 0.0324, wR（all data） = 0.0646, completeness to theta = 25.00 was 99.8% and GOOF = 1.04. In the crystal structure, ABAN molecules were linked with each other through intermolecular C–H···π interactions and N–H···N hydrogen bonds, by which the 1D chain, 2D plane and 3D stacking structures were constructed. The photophysical properties and calculation results confirmed that ABAN possessed an intramolecular charge transfer（ICT） process. ABAN could be applied into the optoelectronic material field due to good solvent-tuned photophysical properties and highly thermal stability.
