ISSN : 2348 - 8948

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Volume : 5 Issue :8 Month : August (2017)
Page Numbers : 295-309

Intermolecular change transfer in a coumarin Aliphatic amines system : Influence of solvent and bridging unit on electronic properties

S.Bakkialakshmi, M. Shakthi, K.B. Renuka Devi
Intermolecular electron transfer interaction between coumrin dyes (v/c) and aromatic amines, n-butyl amine (NBA) and Triethyl anine (TEA), has been investigated in three different solvents water, DMF and DMSO. The excited state intramolecular proton transfer (ESIPT) process of coumarin was fully rationalized by DFT/TDDFT calculations with optimization of the ground state (So) and exited state (S1) geometries. The molecular Electrostatic potential (MEP) map indicates the probable sites for electrophilic and nucleophilic reactive sites which interact with either solvent or quenchers (NBA and TEA). Electronic properties were derived from ground state DFT calculation. Mulliken atomic charges of coumarin with NBA and TEA in three different solvents have also been calculated.
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