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Dynamic metal–ligand coordination in solution: a ligand-exchange relay mechanism for gold( i ) sulfido complex transformation

Year: 2026

Type: article

Abstract: , consistent with experimental observations. This ligand dependence arises from the P-P bite distance, which controls key Au-S contacts and thereby the relay-intermediate stability. These findings reveal ligand-exchange relay as a distinct dynamic coordination mode and demonstrate that MLP-driven enhanced-sampling simulations can resolve interconversions of polynuclear complexes with atomistic and free-energy resolution.

Source: Chemical Science

DOI: 10.1039/d6sc06455h

Authors: Yining Zhang, Guoao Li, Manyi Yang, Shuhua Li

Institution: Nanjing University

Language: English

Topic: Synthesis and characterization of novel inorganic/organometallic compounds

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: diamond

Funders: National Natural Science Foundation of China, Natural Science Foundation of Jiangsu Province, Fundamental Research Funds for the Central Universities

OpenAlex ID: W7223059251

FWCI:

Cites: 45

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Related to: 10