Investigation Of Excitation Wavelength And Solvent Polarity Dependence Of Dual Fluorescence Of A Newly Synthesized Schiff Base N-(4-(dimethylamino) Benzylidene)-2h-1 2 4-triazol-3-amine (dmaba-amtr)

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Steady state absorption, fluorescence excitation and emission spectra of DMABA-Amtr have beenrnmeasured at room temperature in cyclohexane (CHEX), 1,4-dioxane (DOX), dichloromethane (DCM),rnacetonitrile (ACN) and hexanol solutions. The compound is found to exhibit dual emission in polarrnsolvents while a single emission was observed in a nonpolar solvent cyclohexane. The effect of solventrnpolarity on the absorption spectra shows a general bathochromic shift. Dependence of the emissionrnspectra on solvent polarity and excitation wavelength has also been studied. The fluorescence excitationrnspectra of DMABA-Amtr monitored at different emission bands are found to be different. Moreover, arearnnormalized emission spectra in polar solvents exhibit an isoemissive point showing the presence of twornequilibrated ground state conformations of the same molecule. Thus, the presence of two differentrnconformations of the same molecule in the ground state in polar solvents has led to two wxcited states,rnlocally excited (LE) and charge transfer (CT), and thereby results in the dual fluorescence of therncompound.rnThe experimental studies were supported by computational results, force field theory/ MolecularrnMechanics/ MM+rn, by making use of Hyperchem 7.5 software. The ground state geometry optimizationrnand value of the ground state dipole moment was computed at Density Functional Theory (DFT) levelrnwith B3LYP functional and 6-31G basis set.rnOn the basis of the experimental and computational results, two conformers of DMABA-Amtr arernsuggested which are stable in the ground state, equilibrated in polar solvents at room temperature thatrngive rise to dual fluorescence up on excitation.

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Investigation Of Excitation Wavelength And Solvent Polarity Dependence Of Dual Fluorescence Of A Newly Synthesized Schiff Base N-(4-(dimethylamino) Benzylidene)-2h-1 2 4-triazol-3-amine (dmaba-amtr)

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