Sulphamic acid: potential single crystal for nonlinear optical applications

Kumar, Ravinder; Khan, Naghma; Sonia, .; Kumari, Manju; Jewariya, Mukesh; Srivastava, Ritu

doi:10.1007/s10854-020-03983-7

Cited by 13 publications

(1 citation statement)

References 24 publications

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“…For all the investigated samples, many absorption bands were observed in the spectra within 3500–2800 cm −1 , which correspond to the NH 3 + and NH 2 vibrations [ 24 ]. The abundance of absorption bands in the spectra is related to the amino and ammonium groups in ammonium sulfamate and urea, as well as to the effect of different groups on them, which lead to the protonation and deprotonation in the system [ 25 ].…”

Section: Resultsmentioning

confidence: 99%

Comprehensive Study of the Ammonium Sulfamate–Urea Binary System

et al. 2023

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The physicochemical properties of binary systems are of great importance for the application of the latter. We report on the investigation of an ammonium sulfamate–urea binary system with different component ratios using a combination of experimental (FTIR, XRD, TGA/DSC, and melting point) and theoretical (DFT, QTAIM, ELF, RDG, ADMP, etc.) techniques. It is shown that, at a temperature of 100 °C, the system under study remains thermally and chemically stable for up to 30 min. It was established using X-ray diffraction analysis that the heating time barely affects the X-ray characteristics of the system. Data on the aggregate states in specified temperature ranges were obtained with thermal analysis and determination of the melting point. The structures of the ammonium sulfamate–urea system with different component ratios were optimized within the density functional theory. The atom-centered density matrix propagation calculation of the ammonium sulfamate–urea system with different component ratios was performed at temperatures of 100, 300, and 500 K. Regardless of the component ratio, a regular increase in the potential energy variation (curve amplitude) with an increase in temperature from 100 to 500 K was found.

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Section: Resultsmentioning

confidence: 99%