Isomer-driven pyrazole frameworks: structural and zwitterionic insights for advanced energetics
Vikranth Thaltiri, Richard J. Staples, Jessica E. Burch, Anshuman Bera, Sivaranjana Reddy Vennapusa, Jean’ne M. Shreeve
Abstract
An isomer-driven strategy yielded two pyrazole frameworks: high-energy (5) and zwitterionic (11), which balances energy ( D v : 8797 m s −1 ), thermal stability (242.7 °C), and insensitivity, demonstrating a promising approach for advanced EMs.
Topics & Concepts
EnergeticsPyrazoleChemistryComputational biologyNanotechnologyComputer scienceStereochemistryBiologyMaterials scienceEcologyEnergetic Materials and CombustionMetal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexes