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Peer-reviewedCC BYInorganic chemistry

Thermally Driven Reorganization of Aurophilic AIE Aggregates in Microheterogeneous Acetonitrile/Water Media.

  • Ainhoa Rodríguez-Gobernado1
  • Inés Soldevilla1
  • Andrea Pinto2,3
  • Isabel Esteban-Díez1
  • Laura Rodríguez2,3
  • Miguel Monge1
  • María Rodríguez-Castillo1
  • José M López-de-Luzuriaga1
  1. 1Departamento de Química, Instituto de Investigación en Química de la Universidad de La Rioja (IQUR), Universidad de La Rioja, Complejo Científico Tecnológico, Logroño26006, Spain.
  2. 2Departament de Química Inorgànica i Orgànica, Secció de Química Inorgànica, Universitat de Barcelona, Martí i Franqués 1-11, BarcelonaE-08028, Spain.
  3. 3Institut de Nanociéncia i Nanotecnologia, Universitat de Barcelona, Barcelona08028, Spain.
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Abstract

We report a combined spectroscopic, kinetic, and computational study of aggregation-induced emission (AIE) in tetranuclear Au(I)/Ag(I) complexes in microheterogeneous acetonitrile/water mixtures. Time-resolved UV-vis spectroscopy and multivariate analysis reveal that once AIE aggregates are formed, a further aggregation process proceeds via a continuous, cooperative reorganization pathway rather than classical nucleation-growth. The process follows compressed-exponential kinetics and exhibits a well-defined activation barrier (Ea = 86 kJ·mol-1). Dynamic light scattering confirms a hierarchical growth from nanometric aggregates to micron-scale species leading to precipitation. DFT calculations show that interunit interactions (116 kJ·mol-1), dominated by aurophilic and π-stacking forces, govern aggregate stability and are mechanistically linked to the kinetic barrier arising from their partial reorganization. Conductor-like Screening Model (COSMO) analysis further indicates weak solvation, rationalizing the dominance of intermolecular interactions.

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Cite

BibTeXRIS
BibTeX
@article{rodriguezgobernado2026thermally,
  title = {{Thermally Driven Reorganization of Aurophilic AIE Aggregates in Microheterogeneous Acetonitrile/Water Media.}},
  author = {Ainhoa Rodríguez-Gobernado and Inés Soldevilla and Andrea Pinto and Isabel Esteban-Díez and Laura Rodríguez and Miguel Monge and María Rodríguez-Castillo and José M López-de-Luzuriaga},
  journal = {Inorganic chemistry},
  year = {2026},
  month = sep,
  doi = {10.1021/acs.inorgchem.6c03111},
  url = {https://europepmc.org/article/MED/42916461},
  note = {CC BY},
}
RIS
TY  - JOUR
TI  - Thermally Driven Reorganization of Aurophilic AIE Aggregates in Microheterogeneous Acetonitrile/Water Media.
AU  - Ainhoa Rodríguez-Gobernado
AU  - Inés Soldevilla
AU  - Andrea Pinto
AU  - Isabel Esteban-Díez
AU  - Laura Rodríguez
AU  - Miguel Monge
AU  - María Rodríguez-Castillo
AU  - José M López-de-Luzuriaga
PY  - 2026
DA  - 2026/09/01
JO  - Inorganic chemistry
DO  - 10.1021/acs.inorgchem.6c03111
UR  - https://europepmc.org/article/MED/42916461
AB  - We report a combined spectroscopic, kinetic, and computational study of aggregation-induced emission (AIE) in tetranuclear Au(I)/Ag(I) complexes in microheterogeneous acetonitrile/water mixtures. Time-resolved UV-vis spectroscopy and multivariate analysis reveal that once AIE aggregates are formed, a further aggregation process proceeds via a continuous, cooperative reorganization pathway rather than classical nucleation-growth. The process follows compressed-exponential kinetics and exhibits a well-defined activation barrier (Ea = 86 kJ·mol-1). Dynamic light scattering confirms a hierarchical growth from nanometric aggregates to micron-scale species leading to precipitation. DFT calculations show that interunit interactions (116 kJ·mol-1), dominated by aurophilic and π-stacking forces, govern aggregate stability and are mechanistically linked to the kinetic barrier arising from their partial reorganization. Conductor-like Screening Model (COSMO) analysis further indicates weak solvation, rationalizing the dominance of intermolecular interactions.
SN  - 0020-1669
SN  - 1520-510X
ER  -