Synthesis, DFT computational insights on structural, optical, photoelectrical characterizations and spectroscopic parameters of the novel (2E)-3-(4-methoxy-5-oxo-5H-furo[3, 2-g]chromen-6-yl)acrylonitrile(MOFCA)
Shimaa Abdel Halim, Magdy A. Ibrahim
Topics & Concepts
ChemistryDihedral angleNatural bond orbitalCyanoacetic acidMolecular orbitalAcrylonitrilePhysical chemistryOscillator strengthComputational chemistryDensity functional theoryAnalytical Chemistry (journal)Spectral lineMoleculeHydrogen bondOrganic chemistryPolymerAstronomyPhysicsCopolymerSynthesis and biological activityNonlinear Optical Materials ResearchSynthesis of Organic Compounds