Matrix infrared spectroscopic and theoretical study on the Pt(SF4) and PtF2SF2 complexes with multiple Pt-S bonding
Qingxiu He1,2, Xiuting Chen1, Yu Gong1
1State Key Laboratory of Thorium Energy, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China. gongyu@sinap.ac.cn.
Physical Chemistry Chemical Physics : PCCP
|February 25, 2026
Summary
Researchers synthesized novel platinum-sulfur tetrafluoride complexes, Pt(SF4) and PtF2SF2, using laser ablation and DFT calculations. These complexes exhibit unique bonding and structural characteristics, offering insights into platinum-ligand interactions.
Area of Science:
- Inorganic Chemistry
- Computational Chemistry
- Materials Science
Background:
- Platinum complexes are crucial in catalysis and materials science.
- Understanding the bonding and structure of novel platinum compounds is essential for developing new applications.
Purpose of the Study:
- To synthesize and characterize new platinum-sulfur tetrafluoride complexes.
- To investigate the structural, bonding, and electronic properties of these complexes using experimental and computational methods.
Main Methods:
- Laser ablation of platinum atoms in neon at 4 K.
- Infrared spectroscopy with isotopic substitution (34S).
- Density Functional Theory (DFT) calculations at the PBE0 level.
Main Results:
- Formation of two complexes: Pt(SF4) and PtF2SF2.
- Pt(SF4) formed during annealing and converted to PtF2SF2 upon irradiation.
- Both complexes possess singlet ground states with distinct symmetries and bonding characteristics.
- Analysis revealed multiple bonding between Pt and S, with differences in bond polarization between the two complexes.
Conclusions:
- The study successfully synthesized and characterized novel platinum-sulfur tetrafluoride complexes.
- The findings provide detailed insights into the structural and bonding properties of these complexes.
- The results contribute to the fundamental understanding of platinum-ligand interactions and could inform future materials design.
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