Crystal growth, vibrational, optical, computational, photoluminescence and SHG analyses of lithium l-ascorbate dihydrate crystal
Source abstract
Abstract
The lithiuml-ascorbate dehydrate (LLA) crystal is grown using the solution growth method. The X-ray diffraction analysis shows that the LLA crystal belongs triclinic crystal system. The O–H stretching vibration is noted at 3215 cm−1in the FTIR spectrum. In thednormsurface blue colour shows the positive intermolecular interaction value. The HOMO energy value is -6.149 eV. It has a UV cut-off wavelength of 288 nm. The density states were calculated using the DOS spectrum. The Mulliken charges vary from 0.433100 to -0.482655. The range of the electron distribution is − 0.114 E0 (red) to 0.114 E0 (blue). The intermolecular interactions are created by the orbitals of σ–σ*, σ*–π*, LP–σ*and LP–π* interactions. The photoluminescence was measured in a range of 350 to 500 nm. The recognition of the positive green SHG signals from the oscilloscope confirms the SHG behaviour of the LLA crystal.Graphical abstract
Source: expertdata · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Nonlinear Optical Materials Research · Crystallization and Solubility Studies · Spectroscopy and Quantum Chemical Studies
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