{
  "abstract": "The solvent-dependent self-association of chiral 2-acetoxy-2-phenylacetic acid (APA) was investigated in CCl4, CDCl3, and DMSO-d6 solvents, using infrared (IR) and Vibrational Circular Dichroism (VCD) spectroscopy, supported by density functional theory calculations. Concentration-dependent IR measurements revealed progressive formation of self-associated species in CCl4 and CDCl3, whereas no significant concentration dependence was observed in DMSO-d6. Band-fitting analysis and comparison of experimental and calculated IR and VCD spectra indicate that hydrogen-bonded APA dimers with an antiarrangement of the phenyl rings are the dominant self-associated species in CCl4 and CDCl3. In contrast, the high polarity of DMSO-d6 suppresses self-association and favors a doubly hydrogen-bonded 1:1 APA–DMSO-d6 complex involving O-H…O and C-H…O interactions. The results demonstrate that solvent polarity strongly controls the balance between solutesolute and solute-solvent hydrogen bonding and highlight the sensitivity of VCD spectroscopy to molecular association and intermolecular interactions in solution.",
  "abstract_shown": true,
  "affiliations": [
    "School of Chemical Sciences, Indian Association for the Cultivation of Science, Jadavpur, Kolkata, India, 700032"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 2,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Anwesha Datta",
      "orcid": "0009-0001-0552-2719"
    },
    {
      "affs": [
        0
      ],
      "name": "Tapas Chakraborty"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/4m8w9f3679ya1.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15008344/v1",
  "fulltext_url": null,
  "id": "4m8w9f3679ya1",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008344/v1",
  "language": null,
  "licence": "CC-BY-NC-ND",
  "licence_label": "CC BY-NC-ND",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1607|Molecular spectroscopy and chirality"
    ]
  ],
  "openalex": "W7208727114",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008344/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-04",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/4m8w9f3679ya1.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:17Z",
      "native_id": "10.26434/chemrxiv.15008344",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008344/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1607|Molecular spectroscopy and chirality",
      "subfield": "physical"
    }
  ],
  "title": "Solvent-Dependent Self-Association of Chiral 2-Acetoxy-2-Phenylacetic Acid Revealed by Infrared and Vibrational Circular Dichroism Spectroscopy",
  "title_text": "Solvent-Dependent Self-Association of Chiral 2-Acetoxy-2-Phenylacetic Acid Revealed by Infrared and Vibrational Circular Dichroism Spectroscopy",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:17Z",
  "url": "https://research.draconitic.com/paper/4m8w9f3679ya1",
  "venue": "ChemRxiv",
  "versions": []
}