Investigation of UV-vis spectra of azobenzene containing carboxyl groups

• DOI: 10.1007/s00894-021-04702-7
• Publication Date: 2021-02-10T05:01:46Z
• Authors: Jianqiang Zhao; Yue Zhang; Xin Yan; Lihua Gan; Guanlei Wang
• Keywords: 01 natural sciences; 7. Clean energy; 0104 chemical sciences

UV-vis spectra of azobenzene containing carboxyl group were investigated by using density functional theory calculations. The calculation results show that substitutions of carboxyl groups have no obvious effect on the coplanarity of azobenzene. Compared with azobenzene, the wavelength of maximum absorption of P-COOH-trans has obvious red shift and the wavelength of maximum absorption of M-COOH-trans has blue shift in UV-vis spectra. In addition, P-COOH and M-COOH were synthesized, and their structures were determined by Fourier transform infrared(FT-IR),and their UV-vis spectra. The calculation results are in good agreement with the experimental data.