Improving excited-state dynamic properties with the help of metalide character and excess electrons: earlier transition-metal pairing with superalkali clusters
Li 3 O@[12-crown-4]M (TM = Sc–Mn) complexes are designed and explored theoretically, showing that metalide character and excess electrons improve the excited state and dynamic properties. The important role of van der Waals forces is also revealed.
Authors
- Sadegh Kaviani (ORCID: https://orcid.org/0000-0002-4706-8200)
- Jianwei Cao (ORCID: https://orcid.org/0000-0003-0887-1110)
- Wensheng Bian (ORCID: https://orcid.org/0000-0003-2125-8054)
- Safi Ullah Majid (ORCID: https://orcid.org/0009-0002-0942-5112)
- Atazaz Ahsin (ORCID: https://orcid.org/0000-0002-2529-0273)
- Aamna Qamar
Institutions
- COMSATS University Islamabad (PK)
- Chinese Academy of Sciences (CN)
- Kazan Federal University (RU)
- Abbottabad University of Science and Technology (PK)
- Beijing National Laboratory for Molecular Sciences (CN)
- Institute of Physics (RU)
- State Key Laboratory of Polymer Physics and Chemistry (CN)
- Institute of Chemistry (CN)
- University of Chinese Academy of Sciences (CN)
Publication Details
- Journal
- New Journal of Chemistry
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5nj00827a
- Citations
- 3
- Primary Topic
- Magnetism in coordination complexes
- Type
- article
- Field-Weighted Citation Impact
- 1.28