Synthesis, Empirical and Theoretical Investigations on New Histaminium Bis(Trioxonitrate) Compound

• Published in: Molecules (Basel, Switzerland) Vol. 28; no. 4; p. 1931
• Main Authors: Jmai, Mahdi, Gatfaoui, Sofian, Issaoui, Noureddine, Roisnel, Thierry, Kazachenko, Aleksandr S, Al-Dossary, Omar, Marouani, Houda, Kazachenko, Anna S
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 17.02.2023; MDPI
• Subjects: Anions; Atomic structure; Cations; Chemical reactions; Chemical Sciences; Crystal structure; Crystallization; Electrostatic properties; Energy gap; Evaporation; Histamine; Hydrogen bonding; Hydrogen bonds; Infrared radiation; infrared spectrum; Lattice parameters; Lattice vibration; Molecular orbitals; Nitrates; organic–inorganic material; Polarity; Room temperature; Single crystals; single-crystal X-ray diffraction; spectrofluorimetry; Stability analysis; Ultraviolet spectra; ultraviolet–visible spectrometry; Visible spectrum; X-ray diffraction; spectrofluorimetry; ultraviolet–visible spectrometry; histamine; single-crystal X-ray diffraction; infrared spectrum; organic–inorganic material; DFT calculations

In this paper, a novel hybrid material, entitled histaminium bis(trioxonitrate), with the general chemical formula (C H N )(NO ) , denoted by HTN was presented. Single-crystal X-ray diffraction was used to determine the structural characteristics of this compound after it was made using a slow evapo...