Growth, experimental and theoretical analysis of physical properties of an organic NLO 2Methylimidazole l-Tartrate (2MILT) crystal

Raval, Hiral; Raval, Purvesh; Parekh, B. B.; Joshi, M. J.

doi:10.1016/j.jpcs.2020.109908

Cited by 6 publications

(1 citation statement)

References 47 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The red, blue, and white regions reveal that the contact points are shorter, longer, and closer to Van der Waals radii with a negative d norm equal to zero. [ 12 ] The potential hydrogen bonding interaction d norm surface is displayed in the range of 0.8572 (d e ) to 1.1306 (d i ). The bond distances of N─H─O is observed to be 1.552 Å.…”

Section: Resultsmentioning

confidence: 99%

Growth, Optical, Thermal, Antibacterial Activity and Computational Study of Highly Efficient Organic NLO Crystal: 2‐Amino‐1‐methyl‐4‐oxo‐4, 5‐dihydro‐1H‐imidazol‐3‐ium 4‐methyl‐benzene‐sulfonate

Shyla,

Jebamalar,

Vinitha

2023

Cryst. Res. Technol.

View full text Add to dashboard Cite

A good organic single crystal of 2‐Amino‐1‐methyl‐4‐oxo‐4, 5‐di‐hydro‐1H‐imidazol‐3‐ium 4‐methyl‐benzene‐sulfonate (2ADPTS) is grown by slow evaporation technique, and the orthorhombic system with noncentrosymmetric space group (P212121) is corroborated by single‐crystal X‐ray diffraction analysis. The structural parameters of the 2ADPTS crystal are investigated and weighted up with the theoretical interpretation. The Hydrogen–Hydrogen interaction with (43.6%) in 2ADPTS promotes crystal structure packing stabilization. The presence of various functional groups and chemical composition of the 2ADPTS compound is identified by FTIR and FT‐Raman spectroscopy. The natural bond orbital evaluation interprets all the possible hydrogen bonding interactions and charge delocalizations in the crystal structure. Thermal analysis confirmed the thermal stability of the 2ADPTS crystal. The absorption spectrum of the 2ADPTS crystal is recorded using UV–Vis spectroscopy. The third‐order nonlinear property of the 2ADPTS crystal is confirmed by using the Z‐scan technique. The higher significant antibacterial activity of 2ADPTS is carried out by the standard Kirby‐Bauer test against four pathogenic bacteria commonly called the agar well diffusion process.

show abstract

Section: Resultsmentioning

confidence: 99%