Preparation and characterization of metal carbenes M2C3− (M = Os, Ir, Pt)

Jianpeng Yang*, Ziheng Zhang, Gang Li, Juntao Cao, Qiangshan Jing, Hua Xie*, and Ling Jiang*

Chin. J. Struct. Chem., 2025, 44(9), 100657. DOI: 10.1016/j.cjsc.2025.100657

September 1, 2025

ABSTRACT

In summary, the M2C3− (M = Os, Ir, Pt) complexes have been successfully synthesized and characterized by using photoelectron spectroscopy. The experimental VDEs of Os2C3−, Ir2C3− and Pt2C3− are measured to be 2.75±0.09, 3.05±0.08, and 2.06±0.03 eV, respectively. These experimental values are in excellent agreement with the theoretical values obtained from quantum chemical calculations. While the structures of Os2C3− and Ir2C3− have linear chains with two terminal metal atoms, Pt2C3− adopts a slightly twisted zigzag chain. All the M2C3− (M = Os, Ir, Pt) complexes are stabilized by the delocalized π bonding interactions among all the five atoms, indicative of a [M=C=C=C=M]− carbene with potentially high reactivity toward a large variety of small molecules (CO2, N2, H2O, CH4, etc). The present findings advance the characterization of novel metal carbenes and afford important insights into the development of related single-atom/cluster catalysts.

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