Vidhya D, Ramalingam S, Periandy S, Aarthi R
Department of Physics, A.V.C. College, Mayiladuthurai, Tamilnadu, India.
KMCPGS, Puducherry, India.
Heliyon. 2019 Dec 24;5(12):e03055. doi: 10.1016/j.heliyon.2019.e03055. eCollection 2019 Dec.
In this attempt, in order to obtain high-quality NLO crystal, organic compound; 3-(3,4-Dihydroxyphenyl)-L-Alanine crystal was fabricated. The organic-composite crystal was characterized by crystallographic and spectroscopic tools. The NLO supported parameters like crystal lattice (orthorhombic) and space group (222) examined and validated by XRD examination. The SHG test was carried out and SHG efficiency was calculated that1.29 and 1.35 times greater than solid KDP crystal. The laser damage threshold energy density was determined to be 14.51 GW/cm. By the application of mulliken charge assignment, multiple dielectric cavities were found in crystal material which is able to process the high degree of birefringence gradient. The oscillating chemical potential movement was observed by examining chemical shift, among the core carbons of hexagonal ring and bridge carbons of chain. The chemical softness insists the binding viability of further ligand groups. The π and δ-conjugated interactive complex orbitals recognized on molecular site and participation in optical active mechanism was identified. UV-Visible transmission characteristics of crystal were studied and UV-Visible absorption on degenerate energy states was noted and its band gap energy was estimated. The CT complex of the present case was acknowledged to be COOH group and it causing crystal properties of current organic composite. The hyperactive polarizability was determined as 1775.05 × 10 esu and it was found to be five times greater than thiourea. The depletion energy between highly electrophilic zones and protonic zones was estimated to be ±5.241 e 2 causing permanent dielectric characteristics for the title organic composite. The non-superposable on the molecular mirror image was displayed and thereby optical ability was validated.
在此次尝试中，为了获得高质量的非线性光学（NLO）晶体，制备了有机化合物3-(3,4-二羟基苯基)-L-丙氨酸晶体。通过晶体学和光谱学工具对该有机复合晶体进行了表征。通过X射线衍射（XRD）检测对诸如晶格（正交晶系）和空间群（222）等NLO支持参数进行了检测和验证。进行了二次谐波产生（SHG）测试并计算了SHG效率，结果表明其比固体磷酸二氢钾（KDP）晶体高1.29倍和1.35倍。确定激光损伤阈值能量密度为14.51 GW/cm²。通过应用穆利肯电荷分配，在晶体材料中发现了多个介电腔，其能够处理高度的双折射梯度。通过检查化学位移，在六元环的核心碳和链的桥连碳之间观察到振荡化学势运动。化学柔软性表明了进一步配体基团的结合活力。在分子位点识别出π和δ共轭相互作用复合轨道，并确定其参与光学活性机制。研究了晶体的紫外-可见透射特性，记录了简并能态下的紫外-可见吸收，并估计了其带隙能量。本案例中的电荷转移（CT）络合物被认为是COOH基团，它导致了当前有机复合材料的晶体性质。超极化率测定为1775.05×10⁻³⁰ esu，发现其比硫脲大五倍。估计高亲电区和质子区之间的耗尽能量为±5.241 e⁻²，这导致了标题有机复合材料的永久介电特性。显示了在分子镜像上不可重叠，从而验证了光学活性。
