Recently, significant progress has been made in the research field of conformational transition of nitrogen-containing heterocyclic molecules adsorbed on transition metal surfaces and interface electron transfer by the research team led by Dr. Jindong Ren at the National Center for Nanoscience and Technology. The relevant findings have been published online in the Journal of the American Chemical Society.
The bonding patterns and self-assembly of nitrogen-containing heterocycles. Image provided by the interviewee.
"Functional molecular materials are currently a hot topic in chemistry and materials science, and they represent the forefront of nanotechnology research," said Ren Jindong to the Chinese Science Bulletin. "Research and applications based on metal and organic functional molecular materials have propelled advancements in the fields of materials, information, energy, and environmental science and technology."
Nitrogen-containing heterocycles are widely used as molecular surface anchoring agents, and their strong basicity and nucleophilicity have important applications in catalyzing organic synthesis reactions. The team utilized various nanotechnologies to study for the first time the surface binding and electrical properties of different transition metal nitrogen-containing heterocycles. By altering the molecular surface configuration with substituents of two kinds of atoms and controlling the technology, they achieved the transition of nitrogen-containing heterocycle molecules from a lying-down to an upright configuration.
Further computational analysis of surface charge transfer for imine monomers revealed that the adsorption configuration on the surface significantly affects the efficiency of charge injection into the metal surface.
"Therefore, the upright configuration is the optimal choice for catalytic applications," said Ren Jindong. "This work provides a detailed mechanism at the microscopic and molecular levels, offering a refined understanding for the design optimization of heterogeneous catalysts in coordination chemistry. It holds significant implications for applications in catalysis and materials science in related molecular systems."
Related paper information: https://doi.org/10.1021/jacs.3c11738
