| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1493535 | Optical Materials | 2016 | 7 Pages |
•Solvatochromic NLO property evaluation of coumarins.•DFT studies on 3-styryl coumarin dyes.•Calculations of first and second order hyperpolarizabilities.
The coumarin molecules are versatile fluorophores and can be modified synthetically to give desired properties. The molecules studied have 4-cyano group as an assistance to original chromophore and imparts a red shift. These coumarins were expected to show good non-linear optical (NLO) properties. The experimental and theoretical methods were employed to determine their NLO properties. Directional components of hyperpolarizabilities were calculated and showed a variation according to the placement of electron pulling groups. Studied molecules show a very high (494–794 times of urea) total first order hyperpolarizability. The NLO properties of the molecules were found to be solvent dependant.
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