Synthesis, FT-IR, structural, thermochemical, electronic absorption spectral, and NLO analysis of the novel 10-methoxy-10H-furo[3,2-g]chromeno[2,3-b][1,3]thiazolo[5,4-e]pyridine-2,10(3H)-dione (MFCTP): a DFT/TD-DFT study

Abstract

A novel MFCTP was synthesized and characterized.

Nuclear Magnetic Resonance

“…These authors 47 also studied the anti-microbial drug sulfathiazole and the experimental NMR data were supported by GIAO calculations. Similar reports on novel 4-[3-(3-methoxy-phenyl)-3-oxo-propenyl]-benzonitrile compound, 48 1-(2-hydroxy-4-propoxy-3-propylphenyl) ethanones bearing thiotetrazole, 49 1-(3-methoxy-phenyl)-3-naphthalen-1-ylpropenone, 50 [5,4-e]pyridine-2,10(3H)dione 51 and (E)-1-(2,5-dichlorothiophen-3-yl)-3-(thiophen-2-yl)-2-propen-1one 52 were also published. Sezgin et al 53 reported on the synthesis, experimental and theoretical characterization of a novel azo molecule, 2,2-dimethyl-5-(m-tolyldiazenyl)-1,3-dioxane-4,6-dione, and tested its antibacterial properties.…”

“…114 Solid state NMR studies represent a very efficient tool, providing insight into structures, mechanisms and dynamics of crystalline catalysts. For this purpose, as a support of the experimental work, 51 V nuclear shielding was theoretically predicted in molecular crystals. 115 Another study on catalysts involved combined experimental NMR and theoretical modeling of vanadia-alumina catalysts.…”

Simple Fluorescence Sensing Approach for Selective Detection of Fe3+ Ions: Live-Cell Imaging and Logic Gate Functioning

“…Generally, the MEP surface analysis provides information regarding the three-dimensional charge distributions of molecules. When correlated with a dipole moment, partial charges, electronegativity, and chemical reactivity sites found in the molecule, MEP shows significant traits including variation in electron density, size, and form. − MEP analysis reveals the electron-rich and deficient areas of the molecules, and therefore the molecule’s sites available for the electrophilic attack can be efficiently identified by MEP analysis . This surface analysis helps to visualize differently charged regions of the molecules which are indicated by different colors.…”