Exploring the influence of CdCl₂ on the nonlinear properties of 4–N, N–dimethylamino – 4–N–methyl – stilbazolium tosylate (DAST) crystal for optoelectronic applications

Crystal Growth, Physicochemical Investigation, and Raman Spectroscopy: Exploration of Intramolecular Charge Transfer in NLO Chromophore DAST

“…The refined structural phase analysis reaffirmed the presence of pure DAST. Particularly, we observed the highest intensity sharp peak on the (004) plane at a 2θ angle of 19.98°, in precise accordance with earlier reports . This sharp peak’s intensity attests to the high crystalline quality of our grown crystal.…”

“…The resulting crystallographic parameters closely match those previously reported. 11 Subsequently, we investigated the PXRD data using Rietveld refinement in FullProf software, as illustrated in Figure 2a. All discerned peaks could be successfully fitted within the reflection conditions of space group Cc for pristine DAST.…”

“…Particularly, we observed the highest intensity sharp peak on the (004) plane at a 2θ angle of 19.98°, in precise accordance with earlier reports. 11 This sharp peak's intensity attests to the high crystalline quality of our grown crystal. Additionally, the diagram within Figure 2b depicts the crystal structure of pure DAST, constructed using VESTA software, which is well matched with the earlier described crystal structure of the DAST molecule (CCDC 1175744), and it is illustrated in Figure 2c, along with the unit cell.…”

“…The absorption spectrum reveals a prominent peak at 386 nm, accompanied by minor peaks at 472 and 662 nm, which correspond to the n−π* electronic transitions. 11 These observations are consistent with the established literature, demonstrating strong alignment with prior research findings. The maximum absorption intensity of DAST closely matches the reported values at 386 and 472 nm, reinforcing the agreement with earlier studies.…”

“…Organic ionic salt was meticulously prepared through a reflux condensation process, involving essential compounds such as C 6 H 7 N, C 8 H 10 O 3 S, C 9 H 11 NO, and a catalytic solution comprising piperidine, toluene, and DMF (N,N-dimethylformamide), as detailed discussion given elsewhere,. 11 The procedure was initiated with the precise measurement of 4-picoline (C 6 H 7 N) and C 8 H 10 O 3 S-Methyl para-toluene-sulfonate, each in an amount of 10.5 mol, introduced into a round-bottom glass flask holding 250 mL of toluene as the solvent. Maintaining a constant temperature of 80 °C, the mixture was subjected to stirring.…”