High-Pressure Studies of 4-Acetamidobenzenesulfonyl Azide: Combined Raman Scattering, IR Absorption, and Synchrotron X-ray Diffraction Measurements

Abstract

We have reported the high-pressure behavior of 4-acetamidobenzenesulfonyl azide (CHNOS, 4-ABSA) by in situ Raman scattering, IR absorption, and synchrotron angle-dispersive X-ray diffraction (ADXRD) measurements in diamond anvil cells with the pressure up to ∼13 GPa at room temperature. All of the fundamental vibrational modes of 4-ABSA at ambient pressure were analyzed by combination of experimental measurements and theoretical calculations using the density functional theory method. Detailed Raman and IR spectroscopic analyses reveal two phase transitions in the pressure region of 0.8-2 and 4.2 GPa, respectively, which are confirmed by the changes in the ADXRD patterns. The first phase transition in the pressure region of 0.8-2 GPa is attributed to the ring distortion and the rotation of CH group, whereas the second phase transition at 4.2 GPa might be induced by the rearrangement of azide group and hydrogen bonds. The analyses of the N vibrational modes suggest that the bent azide group rotates progressively upon compression, which is ascribed to the compression of the unit cell along the b axis. This study is helpful to understand the behavior of azide group and structural evolution of 4-ABSA under high pressure.

Pressure-Induced Reversible Amorphization in Hydrogen-Bonded Crystalline Phenyl Carbamate Form-I

“…The investigation of hydrogen-bonded crystal networks under high-pressure conditions has fundamental and practical importance in understanding the basic process of PIA. PIA in hydrogen-bonded crystals was first reported in ice and has been subsequently reported in other hydrogen-bonded molecular systems including pharmaceuticals, amino acid, and energetic materials. − Above 4.9 GPa, drug γ-indomethacin transforms into a high-density amorphous state, which is different from the common vitreous state . Energetic material 4-carboxybenzenesulfonyl azide undergoes two phase transitions and eventually turns into an amorphous state above 10.5 GPa.…”

Pressure Effects on Optoelectronic Properties of CsPbBr3 Nanocrystals

“…In order to further improve the optoelectronic performance of perovskite materials, plenty of studies have been performed on the chemical synthesis, such as changing atomic composition , and lattice size, etc. Meanwhile, people have also tried physical methods to get an in-depth understanding of the photophysical properties of perovskites, such as changing temperature − and applying pressure. , Compared to the chemical method, the thermodynamics methods manipulate the photophysical properties of these materials without introducing any additional chemical elements, which is helpful for the exploration of the outstanding features of their electronic states. , Pressure, acting as a thermodynamic parameter relative to temperature, is an ideal physical means to tune the characteristics of perovskites continuously by reducing their interatomic distances and enhancing the coupling of electronic levels, which points out a path to build up a correlation between crystal structure and optoelectronic properties. − …”

Pressure-induced stability and polymeric nitrogen in alkaline earth metal N-rich nitrides (XN6, X = Ca, Sr and Ba): a first-principles study

“…13,14 Metal atoms will cause the redistribution of electrons, leading to changes in chemical bonds, which can reduce the pressure of synthesis and increase energy storage. 14 The high pressure compression to form novel compounds has become an valuable method, 15,16 and the advantage is that it is easy to control and can help obtain more structures of N-rich nitrides to form stable polynitrogen. High pressure can change the bonding mode, leading to different bond lengths and hybridization modes, forming a rich multi-center covalent polymerization landscape.…”

“…High pressure can change the bonding mode, leading to different bond lengths and hybridization modes, forming a rich multi-center covalent polymerization landscape. 4 The change in the crystal structure caused by pressure has been proved by predicting the structural diversity of metal nitrides: N 3 , 15 N 4 , 17 N 5 , 18 cyclo-N 6 , 17 N 8 , 19 N 10 , 20 infinite nitrogen chain 21 and nitrogen network structure, 22 which provide an effective way to obtain N-rich compounds. In recent years, alkaline earth metal N-rich compounds have been theoretically predicted with important research significance as high energy-density materials under high pressure.…”