Optoelectronic Evaluation, Chemical Potential Identification, Chemiparametric Oscillation Mapping, and Dielectric Efficiency Investigation of Organic NLO Crystal: 2‐Aminofluorene Using Computational Calculations

In this work, the semi‐organic, 2‐aminofluorene single‐crystal is grown by slow evaporation method. The crystal is optimized and determination of optical axis and the crystal sample is characterized. The volume of the crystal is 568.22 Å3and density −1.311 mg cm−3. The XRD parameters estimate crystal lattice as orthorhombic. The birefringence effect is measured with inter‐atomic attractive dispersion forces. The rearrangement of molecular frame of fluorine on par with amino substitution is estimated. The electro‐optic effect is established by parametric oscillations of accumulation of chemical potential to enable the mechanism of nonlinear optical (NLO) effect. The dielectric loss with respect to the temperature/electrical frequency and the active optical property is measured. The amino group causes optical scattering of nodal regions for radiation absorption process to fascinate optical endurance. The chemical energy processing to acquire the chemical potential to operate light frequency amplification is thoroughly studied from the observation of chemical shift over the molecular frame. The oscillated parametric energy on nonbonding molecular orbital (NBMO) is initiated by the NH2group on the ring carbon–carbon (CC) and it is exchanged among nodal zones of core and comprised of the above segments of the ring. The semiorganic, 2‐aminofluorene single crystal is grown by slow evaporation method for evaluating nonlinear optical response. The crystal is cleaved for determining the optical axis and the crystal sample is characterized. The volume of the crystal is 568.22 Å3 and the density of the crystal is 1.311 mg cm−3. The X‐ray diffraction analysis (XRD) estimates crystal lattice, orthorhombic, and space group (P212121).