Synthesis, structure, spectral properties and DFT quantum chemical calculations of 4-aminoazobenzene dyes. Effect of intramolecular hydrogen bonding on photoisomerization
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:2017
出版时间:15 March 2017
年:2017
卷:175
期:Complete
页码:76-91
全文大小:3707 K
卷排序:175
文摘
Three different “push-pull” 4-aminoazobenzene dyes with intramolecular hydrogen bonding have been synthesized. DFT quantum chemical calculations and NBO analysis of trans (E) and cis (Z) isomers have been performed. The HOMO and LUMO energy levels were calculated and experimentally estimated. The photochromic behavior was discussed in different solvent polarity. The photoisomerization has been investigated in CHCl3 and DMF.