Structure, Stability, and Photophysical Properties of Metal Complexes with Natural and Bioactive Ligands: From Mechanisms to Applications

Metal complexes containing natural and bioactive ligands are a rapidly growing research area at the intersection of coordination chemistry, photophysics, and the life sciences. These systems show wide structural diversity and tunable electronic properties, enabling control over optical, redox, and stability behavior. Understanding how metal centers interact with biologically relevant ligands—such as amino acids, peptides, and polyphenols—provides insight into reactivity, speciation, and functional performance. Recent advances in spectroscopy and computational modeling now make it possible to link structure to photophysical response and, in some cases, biological activity. This Research Topic will provide a multidisciplinary forum for studies that clarify how molecular design and underlying mechanisms enable applications in catalysis, luminescence, sensing, and biomedical science.

This Research Topic highlights recent advances in the structure, stability, and photophysical properties of metal complexes with natural and bioactive ligands, with an emphasis on how these features determine function and application potential. By integrating structural, spectroscopic, and theoretical approaches, the collection aims to bridge fundamental coordination chemistry with applied research in catalysis, sensing, and medicine.

We welcome contributions examining how coordination geometry, ligand substitution, and solvent or matrix effects influence redox behavior, optical absorption/emission, excited-state processes, and overall stability. Particular attention will be given to studies that establish clear structure–property relationships or propose experimentally or computationally supported mechanisms governing reactivity and photophysical behavior. Both experimental and computational manuscripts are encouraged.

Ultimately, this Research Topic aims to foster collaboration among coordination chemists, photophysicists, and bioinorganic researchers to advance the understanding and practical use of metal complexes derived from natural and biologically active ligands.

We welcome Original Research, Review, Mini Review, and Perspective articles addressing the chemistry, spectroscopy, and functional properties of metal complexes with natural and bioactive ligands. Topics include, but are not limited to:
o Synthesis and structural characterization of coordination compounds
o Stability, speciation, and reactivity in solution and in the solid state
o Photophysical and photochemical behavior (absorption, emission, excited-state processes)
o Computational modeling and structure–property relationships
o Catalytic, antioxidant, and photodynamic activity
o Sensing and imaging applications
o Biomolecular interactions and biomedical potential of metal complexes

Article types and fees

This Research Topic accepts the following article types, unless otherwise specified in the Research Topic description:

• Editorial
• FAIR² Data
• Mini Review
• Original Research
• Perspective
• Review

Articles that are accepted for publication by our external editors following rigorous peer review incur a publishing fee charged to Authors, institutions, or funders.

Article types

This Research Topic accepts the following article types, unless otherwise specified in the Research Topic description:

• Editorial
• FAIR² Data
• Mini Review
• Original Research
• Perspective
• Review

Keywords: Metal complexes, Natural and bioactive ligands, Photophysical properties, Functional and biomedical applications

Important note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.