Synthesis, growth, XRD, NLO, CHNSO, structure by theoretical approach, dielectric, absorbance, photoconductivity and bio studies of 4-(4-Acetyl-5-Methyl-1H-1, 2, 3-Triazol-1-yl) Benzonitrile crystals for optical, opto-electronic, and photonics utilities

Synthesis, Studies of Inorganic Class of Mohrite (MOH) Crystals for Electrical, Electronic, Photonic, Phase Matching and Sensor Utilities by Theory and Practice

“…From the slopes of lnσ ac and lnσ dc graphs activation energy of mohrite crystal was calculated. [60][61][62] The obtained values at the range of 1 KHz, 10 KHz, 100 KHz and 1 MHz are 0.167, 0.172, 0.185 and 0.182 eV correspondingly, whereas activation energy for σ dc was 0.052 eV. So it is clear that, DC activation energy is less than that of AC activation energy which may be due to the obstructions offered by the applied AC field.…”

“…The diagram shows the effectiveness of Vanderwall's 50% scheme for weak interactions and the dotted representation for directional output and set of orientations with aura with axis bounded box depth lines of MOH crystals shows the bounded box representation with 1 Å width to specify aura methodology for grouping of atoms in the molecules. 62 The XRD parameters are compared for selective parameters by theory and practice both ways [71][72][73][74][75][76][77][78][79][80] as in Table II and are well matched.…”

“…So it is clear that, DC activation energy is less than that of AC activation energy which may be due to the obstructions offered by the applied AC field. 62 Thus the electrical analysis concluded that High conductivity and low loss with frequency independent AC activation energies of mohrite crystal propose the use of these crystals to replace the existing silicon crystals in the field of memory cells and gate dielectrics and in micro electronics sectors. 62 The room temperature referenced red LED based sensory work for MOH crystal is taken for 0-5400 s along x axis as time frame with y axis as intensity in counts for the linear fitting of 7E-07x + 0.0496 and R 2 as 0.0027 giving up the sensitivity as 7.77% for the red LED referenced room temperature of 29.8 °C with ambience of humidity measured as 44.6% respectively.…”

“…Structural elucidation by theoretical statistics & comparison of single crystal XRD parameters by experimental and by theoretical ways.-Interaction between a unit cell and the whole crystal lattice is shown in the diagram below. 62 The MOH crystal is analyzed for computational methodology using software and the molecular diagram obtain by software is shown in Fig. 10.…”

“…10. 62 Experimental parameters such as force constants and equilibrium values are used to calculate potential functions. The dotted structure with the specification of hydrogen bonds in blue color and other bonds in green/cyan color is shown in the Fig.…”