{
  "abstract": "The Lewis acidity of boranes is strongly influenced by the electronic nature of their substituents and is commonly assessed through interactions with representative Lewis bases. However, the extent to which the relative Lewis acidity ordering of substituted boranes depends on the identity of the interacting Lewis base has not been systematically investigated. In this work, Density Functional Theory (DFT) calculations combined with machine learning (ML) analysis were employed to quantify substituent effects and base dependence in borane–Lewis base interactions. A dataset comprising 816 trisubstituted boranes generated from 16 representative substituents was examined in interaction with five Lewis bases (H2O, NH3, C5H5N, P(CH3)3, and Cl−), yielding 3927 computed adduct formation free energies. The results show that electron-withdrawing substituents generally enhance, whereas electron-donating substituents attenuate, the Lewis acidity of boranes. However, the magnitude of these substituent effects depends on the identity of the interacting",
  "abstract_shown": true,
  "affiliations": [
    "Department of Chemistry and Material Science, School of chemical Engineering",
    "Aalto University"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 3,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Amir Mahdian",
      "orcid": "0009-0006-0480-477X"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Kari Laasonen"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Kaveh Farshadfar"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/77jb0bycxemmg.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15010041/v1",
  "fulltext_url": null,
  "id": "77jb0bycxemmg",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010041/v1",
  "language": null,
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1605|Organoboron and organosilicon chemistry"
    ]
  ],
  "openalex": "W7220850760",
  "pdf_url": null,
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-07",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/77jb0bycxemmg.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:22Z",
      "native_id": "10.26434/chemrxiv.15010041",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010041/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1605|Organoboron and organosilicon chemistry",
      "subfield": "organic"
    }
  ],
  "title": "Base-Dependent Lewis Acidity in Substituted Boranes: Revisiting Intrinsic Acidity through DFT and Machine Learning",
  "title_text": "Base-Dependent Lewis Acidity in Substituted Boranes: Revisiting Intrinsic Acidity through DFT and Machine Learning",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:22Z",
  "url": "https://research.draconitic.com/paper/77jb0bycxemmg",
  "venue": "ChemRxiv",
  "versions": []
}