Monomethine cyanine dyes with an indole nucleus:Microwave -assisted, solvent-free synthesis, spectral properties and theoretical studies
发布时间：2024-10-27
点击次数：
- 发表刊物：
- Dyes and pigments
- 关键字：
- Monomethine indocyanine dye Microwave irradiation UV–Vis spectra IR spectra TD-DFT/PCM
- 摘要：
- Four asymmetric monomethine indocyanine dyes were rapidly synthesized by the condensation of indole quaternary salts with 2-methylthio quinoline quaternary salt in the presence of triethylamine under solvent-free, microwave irradiation. The effects of microwave power and irradiation time on yield were examined. The products were identified using elemental analysis, IR, MS, UV–Vis spectra, 1H and 13C NMR. The absorption of the dyes was investigated both experimentally and theoretically. Calculations performed using a combination of the time-dependent density functional theory (TD-DFT) and the polarizable continuum model (PCM) reproduced the p / p* type absorption bands of the dyes. Multiple linear regression, applied to the theoretical absorption maxima in different solvents, fitted well with experimental data. Resonance frequency calculations were undertaken to study the IR spectra of the dyesand the calculated results were in good accordance with experimental values
- 合写作者：
- Wei Huang,Chun-Lan Li,Yong-Sheng Wei,Yi Huang,Xiang-Han Zhang,Zhen-Yi Wen,Zu-Xun Zhang
- 第一作者：
- Yi-Le Fu
- 论文类型：
- 期刊论文
- 通讯作者：
- Lan-Ying Wang
- 卷号：
- 82
- 期号：
- 3
- 页面范围：
- 409-415
- 是否译文：
- 否
- 发表时间：
- 2009-01-01
- 收录刊物：
- SCI