A study of molecular structure, UV, IR, and 1H NMR spectra of a new dichroic dye on the basis of quinoline derivative

Autor:	Mahdieh Darroudi, Rakesh Kumar, Siyamak Shahab, H. A. Almodarresiyeh
Rok vydání:	2015
Předmět:	Absorption spectroscopy Organic Chemistry Quinoline Analytical chemistry Analytical Chemistry Inorganic Chemistry chemistry.chemical_compound chemistry Proton NMR Molecule Physical chemistry Dimethylformamide Density functional theory Absorption (chemistry) Spectroscopy Derivative (chemistry)
Zdroj:	Journal of Molecular Structure. 1088:105-110
ISSN:	0022-2860
DOI:	10.1016/j.molstruc.2015.01.047
Popis:	In this study, the structure and some molecular properties of a new substance sodium 4-[(4E)-4-[(2E)-2-(2-chloro-3-{(E)-2-[1-(4-sulfonatobutyl)quinolinium-4-yl]ethenyl}-2,3-dihydro-1H-inden-1-ylidene)ethylidene]quinolin-1(4H)-yl]butane-1-sulfonate ( Q ) with maximum absorption in near-IR region ( λ max = 832 nm) was modeled using the Density Functional Theory method (DFT) and then synthesized. The electronic absorption spectrum of Q in dimethylformamide (DMF) solution was calculated. The UV, IR, and PMR spectra of Q were also presented.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::eab520f86ce36bc590e5b38402255763 https://doi.org/10.1016/j.molstruc.2015.01.047 Zobrazit plný text záznamu Full Text from ScienceDirect