Supramolecular architecture, characterization and computational studies of hydrazinium picrate – An organic charge transfer crystal

Autor: R. Markkandan, S. Sivaraman, Sp. Meenakshisundaram
Rok vydání: 2019
Předmět:
Zdroj: Materials Today: Proceedings. 15:654-662
ISSN: 2214-7853
DOI: 10.1016/j.matpr.2019.04.134
Popis: Single crystals of 2-furichydrazinium picrate monohydrate (FHM) grown from ethanol at room temperature belong to the space group P21/c as elucidated from X-ray analysis. Supramolecular assembly is constructed by weak C-H…O, N-H…O and π-π stacking interactions. Intermolecular interactions are analysed by Hirshfeld surface. It exhibits optical limiting property and third-order nonlinear optical character as revealed by Z-scan studies. Band gap energy was estimated by Kubelka-Munk algorithm. Molecular interactions were quantified by Hirshfeld surface analysis and supported well the experimental results.
Databáze: OpenAIRE