An extending evidence of molecular conformation on spectroscopic properties of symmetrical bis-Schiff bases

作者：Fang, Zhengjun^*; Cao, Chenzhong; Chen, Jianfang; Deng, Xingchen

来源：Journal of Molecular Structure, 2014, 1063: 307-312.

DOI：10.1016/j.molstruc.2014.01.073

• Dihedral angle
• Absorption spectrum
• NMR spectrum
• Schiff base

The relationship between the molecular conformation and spectroscopic properties of symmetrical bis-Schiff bases, was explored experimentally. The synthesis, crystal structures, and spectroscopic behaviors of symmetrical bis-Schiff bases derived from 1,4-Phthalaldehyde, p-Y-C6H4N=CHC6H4CH=NC6H4-p-Y (Y = OMe, Me, H, Cl, or F) were reported. The results show when the effect of distance between X or Y and the imine carbon was considered, a good correlation between the upsilon(max) or delta(C)(C=N) of symmetrical bis-Schiff bases and the substituent parameters was obtained. The correlation results indicate that for both symmetrical bis-Schiff bases derived from 1,4-Phenylenediamine and 1,4-Phthalaldehyde, the UV absorption spectrum is dependent on the substituent at the aniline ring and the dihedral angle tau, and the term sin(tau) is suitable to modify the substituent effects on the upsilon(max). However, experimental investigations indicate that the dihedral angle tau has a limited effect on the value

• 出版日期2014-4-24
• 单位湖南工程学院; 湖南科技大学