VI CONCLUSION
DAT2 compound was synthesized using one step Kneogevel condensation method using 4 dimethyl amino benzaldehyde and (3,5,5-trimethylcyclohex-2-enylidene) malononitrile. Large size, optical quality DAT2 single crystals were grown from acetone using solvent evaporation process. From powder X-ray diffraction pattern, the crystal structure of DAT2 was found to be monoclinic with space group P21. The lattice parameters are a = 6.1305 Å, b = 7.424 Å, c = 20.258 Å, α = 90 ̵̊, β = 96 ̵̊ γ = 90° . The transparency range of DAT2 extends from 800-1100 nm. From the reflectance spectrum, the optical band gap was calculated to 1.69 eV whereas optical bandgap of 1.5 eV was obtained from DFT calculation. We studied the electronic structure and electronic charge density for DAT2. Our calculated electronic charge density repots strong sharing of electrons between C/N with H atoms. The dielectric constant value was found to be 15. Maximum reflectivity of 65% was found at 1.7eV. The static values of refractive index are 2.1 and 2.3 for XX and YY plane respectively. The magnitude of conductivity is found to be of the order of 1015. The energy loss is minimum at 4 eV. The calculated results of the optical properties shows that the DAT2 is suitable for optoelectronics and ultrafast photonics applications.
Acknowledgement: Dr.S. Boomadevi acknowledges the Department of Science and Technology (DST), Ministry of Science and Technology, Government of India for the grant under WOS-A scheme(Grant Sanction No: SR/WOS-A/PM/102(G)). Dr. K. Balamurugan acknowledges Department of Science and Technology (DST), Ministry of Science and Technology, Government of India for INSPIRE Faculty Award and Research Grant (IFA14-PH-91).
Funding Sources
This work has been supported by the Department of Science and Technology (DST-WOS A) grant funded by the Indian Government (No: SR/WOS-A/PM/102(G))