Matrix Isolation and Computational Study of High-Energy Pnictogenic Species

• Applicant: Dr. Artur Mardyukov
• Subject Area: Inorganic Molecular Chemistry - Synthesis and Characterisation
• Term: since 2024
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 553601021

Knowledge of the fundamental properties of reactive species has significantly enhanced our understanding of the intricate mechanisms governing their formation and decomposition reactions. This research project concentrates on advancing our insights into high-energy pnictinidenes, specifically focusing on monosubstituted pnictogen compounds (R−Pn, where Pn = P, As, Sb, or Bi) in the +1 oxidation state. These species, exhibiting isoelectronic characteristics with well-known carbenes, manifest either triplet or singlet electronic ground states, with their reactivity being modulated by various substituents. The primary objective of this project is to narrow the existing knowledge gap by employing low-temperature matrix isolation techniques in conjunction with high-level computational methods. Emphasis is placed on the exploration of innovative reactive molecules containing low-valence pnictinidenes, analyzing their reactivity, and conducting comprehensive spectroscopic and theoretical characterizations. Furthermore, the project endeavors to delve into the phosphirene-phosphinidene rearrangement through Heavy Atom Phosphorus Tunneling (HAPT), a phenomenon that has not been previously investigated. Lastly, the research extends to the chemical reactivity of phosphorus mononitride (P≡N), a compound identified in star-forming regions. The study encompasses reactions with H2 and CO, aiming to unravel potential pathways for the formation of pertinent heteroatomic organic molecules.

• DFG Programme: Research Grants