Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7806989 | Journal of Molecular Structure | 2018 | 37 Pages |
Abstract
Single crystals of amino (2-(propan-2-ylidene) hydrazinyl) methaniminium picrate (APHMP) were grown and crystallized at room temperature by slow evaporation-solution growth technique. The structure of the APHMP was confirmed by single crystal X-ray diffraction analysis and various spectroscopic techniques like FT-IR, 1H and 13C NMR. The optical quality of the crystal was evaluated through UV-vis absorption, UV-vis-NIR transmittance, photoluminescence. The compound was thermally stable up to 203â¯Â°C. The molecular structure was optimized using B3LYP method using 6-311G(d,p) basis set. The energy gap between HOMO and LUMO in APHMP is 3.46â¯eV.
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Authors
T. Shanmugavadivu, S. Balachandar, P. Muthuraja, M. Dhandapani,