Synthesis, structure, thermal and NLO characterization of 4-hydroxy tetramethylpiperazinium picrate crystals

Abstract

Good quality single crystals of 4-hydroxy tetramethylpiperazinium picrate (TMPP) were grown by slow evaporation solution growth method at room temperature. The average dimensions of the grown crystals were 0.6 × 0.2 × 0.2 cm 3. The solubility of the compound was estimated using methanol and acetone. The elemental analysis confirms the formation of the compound in the stoichiometric proportion. The UV-visible transmittance study indicates that the crystal possesses minimum transmittance at 370 nm and no absorption at 470-900 nm. The Bragg peaks obtained in the powder X-ray diffraction pattern confirm its crystallinity. The thermal behaviour of the crystal was investigated using thermogravimetric (TG) and differential thermal analysis (DTA) techniques. The structure of the compound was determined by using single crystal X-ray diffraction method. The compound was found to be crystallize in the monoclinic space group P2 (1) /c (a = 6.9513(8)Å, b = 11.8016(14)Å, c = 22.018(2)Å, α = 90.00 • , β = 92.575(2) • , γ = 90.00 •). The thermal anomalies observed in the differential scanning calorimetry (DSC) heating and cooling cycles indicate the occurrence of first order phase transition. Fourier transform infrared (FTIR) and polarized Raman spectral analyses were used to confirm the presence of various functional groups in the compound. The nonlinear optical property (NLO) of the crystal was analysed by Kurtz-Perry powder technique and found that the compound has SHG efficiency 1.5 times greater that of potassium dihydrogen phosphate (KDP).

Proximal Detection of Traces of Energetic Materials with an Eye-Safe UV Raman Prototype Developed for Civil Applications

“…The explanations of the vibrational features in the Raman spectra can be found in studies already published [ 13 , 20 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 ] thus, we report here just the position of the main Raman peaks of each compound.…”

A Review on the Non-Linear Optical Performance of Picric Acid based Crystals

“…Intermolecular hydrogen bonding between the nitrogen of p-toluidine and the phenolate ion of picric acid results in the formation of p-toluidinium picrate. Dhanabal et al [77][78][79] studied the synthesis, structural, thermal and non-linear optical characterization of 4-hydroxytetramethylpiperazinium picrate crystals, as well as the antimicrobial activity of 4-piperidinium carboxylamide picrate and 3,5-dimethylpyrrazolinium picrate against various bacteria and fungi species.…”

Synthesis, molecular structure, spectroscopic investigations and computational study of a potential molecular switch of 2-([1,1’-biphenyl]-4-yl)-2-methyl-6-(4-nitrophenyl)-4-phenyl-1,3 diazabicyclo [3.1.0]hex-3-ene

“…Bond lengths (Å) Bond lengths (Å) C 4 -C 22 1 29 reported the N-O and C-N bond lengths in the range of 1.198-1.238 and 1.440-1.525 Å. Sundaraganesan et al, 30 stated C-N and N-O bond lengths as 1.453, 1.460 Å and in the range 1.273-1.275 Å, respectively. For "A" form, the N-O bond lengths are 1.231 Å and C-N bond lengths are 1.461-1.502 Å, and for "B" form, N-O and C-N bond lengths are in the range 1.236-1.236 Å and 1.347-1.553 Å, respectively, which are in agreement with the reported values.…”