№ files_lp_4_process_3_113793
Study detailing the synthesis, crystallization, and computational analysis of diisopropylammonium phenylsulfonate, linking hydrogen bonding interactions to supramolecular crystalline structures and theoretical electronic properties.
Year: 2026
Region / City: Not specified
Subject: Supramolecular chemistry and crystallography
Document type: Original research article
Institution / Organization: Not specified
Author: Not specified
Target audience: Researchers in chemistry and materials science
Methodology: Experimental synthesis, X-ray crystallography, Density Functional Theory calculations
Chemical compounds: Diisopropylammonium phenylsulfonate, diisopropylamine, phenylsulfonic acid
Solvent: Ethanol
Analytical methods: Crystallographic analysis, vibrational frequency calculations, HOMO-LUMO evaluation
Computational details: DFT/B3LYP method with 6-311G(d,p), 6-311+G(d,p), 6-311++G(d,p) basis sets
Structural properties analyzed: Bond lengths, bond angles, dipole moment, global reactivity descriptors
Crystallization period: Approximately one month
Experimental conditions: Room temperature, standard pressure (1 atm)
Price: 8 / 10 USD
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