{
  "abstract": "Push–pull chromophores typically have a D–π–A molecular architecture with an electron-rich donor group D and an electron-poor acceptor group A, linked by aromatic π units. Here, using the prototypical push–pull chromophore 4-(dimethylamino)benzonitrile (DMABN) in solvents of varying polarity, we demonstrate that time-resolved soft X-ray absorption spectroscopy (XAS), combined with state-of-the-art ab initio quantum chemical simulations, provides quantitative insight into how changes in frontier molecular orbital interactions determine the charge-transfer properties of the molecule. Exploiting the element-specific sensitivity of XAS, we characterize the electronic structures of the locally excited and charge-transfer states within the first singlet excited-state manifold and, in addition, unambiguously identify the early-time population of a triplet state. Our results suggest a common underlying mechanism governing the charge redistribution and population dynamics of the excited electronic states in DMABN, with implications for controlling the photophysical properties of push–pull chromophores in charge-transfer applications.",
  "abstract_shown": true,
  "affiliations": [
    "Max Born Institute for Nonlinear Optics and Short Pulse Spectroscopy Max-Born-Straße 2a 12489 Berlin Germany",
    "Department of Physics and Astronomy, Uppsala University 751 20 Uppsala Sweden",
    "Department of Chemistry and Biomolecular Sciences, University of Ottawa 150 Louis Pasteur Ottawa ON K1N 6N5 Canada",
    "Institute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin für Materialen and Energie GmbH Albert-Einstein-Straße 15 12489 Berlin Germany",
    "Canada Research Chair in Molecular Photonic, Department of Chemistry and Biomolecular Sciences, University of Ottawa 25 Templeton Street Ottawa ON K1N 6N5 Canada",
    "Ultrafast Quantum Photonics Group, National Research Council Canada 100 Sussex Drive Ottawa ON, K1A 0R6 Canada"
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 13,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Mate Kurucz"
    },
    {
      "affs": [
        0
      ],
      "name": "Marc-Oliver Winghart"
    },
    {
      "affs": [
        0
      ],
      "name": "Debkumar Rana",
      "orcid": "0000-0001-8165-3289"
    },
    {
      "affs": [
        1
      ],
      "name": "Victoria Kabanova",
      "orcid": "0000-0002-3891-2991"
    },
    {
      "affs": [
        2
      ],
      "name": "Jibrael Rolston"
    },
    {
      "affs": [
        2
      ],
      "name": "Martha Yaghoubi Jouybari"
    },
    {
      "affs": [
        3
      ],
      "name": "Mattis Fondell",
      "orcid": "0000-0003-2689-8878"
    },
    {
      "affs": [
        3
      ],
      "name": "Sebastian Eckert",
      "orcid": "0000-0002-1310-0735"
    },
    {
      "affs": [
        1
      ],
      "name": "Philippe Wernet",
      "orcid": "0000-0001-7011-9072"
    },
    {
      "affs": [
        4,
        5
      ],
      "name": "Albert Stolow",
      "orcid": "0000-0002-8447-3678"
    },
    {
      "affs": [
        0
      ],
      "name": "Arnaud Rouzée"
    },
    {
      "affs": [
        2
      ],
      "name": "Michael S. Schuurman",
      "orcid": "0000-0002-0922-9034"
    },
    {
      "affs": [
        0
      ],
      "name": "Erik T. J. Nibbering"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/b5hbp4ceyv1pr.bib",
  "cited_by": 0,
  "doi": "10.1039/d6sc06430b",
  "fulltext_url": "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13725622/?tool=EBI",
  "id": "b5hbp4ceyv1pr",
  "issns": [
    "2041-6520",
    "2041-6539"
  ],
  "landing_url": "https://europepmc.org/article/PMC/PMC13725622",
  "language": "eng",
  "licence": "CC-BY-NC",
  "licence_label": "CC BY-NC",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by-nc/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "heading",
      "Chemistry"
    ],
    [
      "openalex",
      "1606|Photochemistry and Electron Transfer Studies"
    ]
  ],
  "openalex": "W7222184270",
  "pdf_url": "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13725622/pdf/?tool=EBI",
  "pmcid": "PMC13725622",
  "pmid": "42974222",
  "published": "2026-10-15",
  "publisher": "Royal Society of Chemistry",
  "ris": "https://research.draconitic.com/paper/b5hbp4ceyv1pr.ris",
  "sources": [
    {
      "first_seen": "2026-11-03T15:20:51Z",
      "native_id": "PMC:PMC13725622",
      "source": "europepmc",
      "url": "https://europepmc.org/article/PMC/PMC13725622"
    },
    {
      "first_seen": "2026-11-04T12:23:58Z",
      "native_id": "PMC13725622",
      "source": "pmc",
      "url": "https://doi.org/10.1039/d6sc06430b"
    },
    {
      "first_seen": "2026-11-04T15:20:49Z",
      "native_id": "MED:42974222",
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  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1606|Photochemistry and Electron Transfer Studies",
      "subfield": "physical"
    }
  ],
  "title": "A core–shell spectroscopic perspective on solution phase charge transfer in photoexcited push–pull chromophores",
  "title_text": "A core–shell spectroscopic perspective on solution phase charge transfer in photoexcited push–pull chromophores",
  "type": "peer-reviewed",
  "updated_at": "2026-11-06T12:21:49Z",
  "url": "https://research.draconitic.com/paper/b5hbp4ceyv1pr",
  "venue": "Chemical science",
  "versions": []
}