{
  "abstract": "An imidazolium-based zwitterionic ionic liquid, 3-(1,3-diethyl-1H-imidazol-3-ium-4-yl) propanoate (ZIL2), was synthesized and investigated through complementary experimental and theoretical approaches. The physicochemical properties of ZIL2 were characterized by thermogravimetric and differential thermal analyses (TGA/DTA), ultraviolet-visible (UV-Vis) spectroscopy, and Fourier transform infrared (FTIR) spectroscopy to evaluate its thermal, optical, and vibrational behavior. The experimental results revealed that ZIL2 is thermally stable up to 231 ℃ and exhibits a melting temperature of 98.66 ℃. The experimental and theoretical optical band gaps were determined to be 5.64 and 5.65 eV, respectively, demonstrating excellent agreement between the experimental measurements and theoretical predictions. In parallel, density functional theory (DFT) calculations were performed at the B3LYP/6-311G(d, p) level, yielding a HOMO-LUMO energy gap of 3.68 eV, reflecting the electronic ground state properties of the system, in contrast to the optical excitation gap. Overall, the combined experimental and theoretical investigation provides a comprehensive understanding of the structural, optical, vibrational, and electronic properties of ZIL2 and demonstrates the usefulness of integrating spectroscopic techniques with quantum chemical calculations for the study of ZILs.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 8,
  "authors": [
    {
      "name": "Amina Mimouni"
    },
    {
      "name": "Taqiyeddine Moumene"
    },
    {
      "name": "Mokhtaria Drissi"
    },
    {
      "name": "Mohamed Mahfoud"
    },
    {
      "name": "El-Habib Belarbi"
    },
    {
      "name": "Mohamed Kadari"
    },
    {
      "name": "Albert Nguyen Van Nhien"
    },
    {
      "name": "Serge Bresson"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/fctmn3q6zza1h.bib",
  "cited_by": 0,
  "doi": "10.18280/acsm.500406",
  "fulltext_url": null,
  "id": "fctmn3q6zza1h",
  "issns": [
    "0151-9107",
    "1958-5934"
  ],
  "landing_url": "https://u-picardie.hal.science/hal-05758483v1",
  "language": "en",
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "hal",
      "0.chim"
    ]
  ],
  "openalex": null,
  "pdf_url": "https://u-picardie.hal.science/hal-05758483/document",
  "pmcid": null,
  "pmid": null,
  "published": "2026-08-31",
  "publisher": "Lavoisier",
  "ris": "https://research.draconitic.com/paper/fctmn3q6zza1h.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:18:00Z",
      "native_id": "hal-05758483",
      "source": "hal",
      "url": "https://u-picardie.hal.science/hal-05758483v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "hal:0.chim",
      "subfield": "general"
    }
  ],
  "title": "Synthesis, Physicochemical Characterization, and Density Functional Theory Investigation of ZIL2 (3-(1,3-diethyl-1H-imidazol-3-ium-4-yl) propanoate)",
  "title_text": "Synthesis, Physicochemical Characterization, and Density Functional Theory Investigation of ZIL2 (3-(1,3-diethyl-1H-imidazol-3-ium-4-yl) propanoate)",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:18:00Z",
  "url": "https://research.draconitic.com/paper/fctmn3q6zza1h",
  "venue": "Annales de Chimie - Science des Matériaux",
  "versions": []
}