Structural, spectral, electrochemistry, thermal properties and theoretical studies on 4-[N, N-di(4-tolyl)amino] benzaldehyde-2-chloro benzoylhydrazone

作者：Liu Lizeng^*; Li Wei; Meng Xianfang; Liu Dongzhi; Xu Gongfeng; Bai Zhengchen

来源：Journal of Molecular Structure, 2014, 1076: 201-207.

DOI：10.1016/j.molstruc.2014.07.062

• Triphenylamine
• Crystal structure
• Photophysical
• Electrochemistry
• Thermal property
• DFT

The title compound 4-[N, N-di(4-tolyl)amino] benzaldehyde-2-chloro benzoylhydrazone (C28H24CIN3O, M-r = 453.96) was synthesized by the reaction of 4-[N, N-di(4-tolyl)amino] benzaldehyde with 2-chlorobenzohydrazide, and its structure was characterized by IR, H-1 NMR, H-13 NMR, high-resolution mass spectrometry and single-crystal X-ray diffraction. The crystal belongs to Monoclinic, space group P2(1)In with a = 12.626(3), b = 12.609(3), c = 15.837(3) angstrom, beta = 90.00(3), Z = 5, V = 2512.5(9) angstrom(3), M-r = 453.95, Dc = 1.280 g/cm(3), mu = 0.183 mm(-1), F(000) = 1024, R = 0.0432 and wR = 0.1087. X-ray analysis revealed that one of the benzene ring and acylhydrazone were essentially planar, the 2-chloro benzene ring and amide were non-planar, the torsion angles C(1)-C(6)-C(7)-O(1) and C(5)-C(6)-C(7)-O(1) are 61.4(5)degrees and -114.4(4)degrees. The thermal stability studies indicate that the title compound is stable up to 341.1 degrees C. The spectral, electrochemistry properties and theoretical studies show that the title compound is a good candidate for the charge-transporting materials.

• 出版日期2014-11-5
• 单位天津商业大学; 天津大学