Magic Molecules: Skoltech Scientists Uncover Nitrogen-Free Explosives That Rival TNT

Explosive Molecules Chemistry

By Quantum Server Networks

In a fascinating leap forward in materials science, researchers at Skoltech have uncovered over 200 exotic carbon-oxygen molecules—many of which exhibit explosive power comparable to TNT. This discovery opens up a new frontier in high-energy-density materials, with applications in everything from space propulsion to biochemical research.

A New Family of Explosive Compounds

The original study, published in Materials Today Energy and supported by the Russian Science Foundation, presents a systematic theoretical analysis of carbon oxides—some of which had never been documented before.

Unlike traditional explosives that depend on nitrogen-based compounds like TNT or ammonium perchlorate, these newly discovered molecules are completely nitrogen-free. Yet, some deliver up to 81% of the explosive energy of TNT, suggesting massive potential for next-gen propellants and advanced energetic materials.

What Makes These Molecules Special?

The key lies in their decomposition chemistry. While nitrogen-based explosives release energy as nitrogen atoms bond to form N₂, these carbon-oxygen molecules release their energy primarily through the formation of stable carbon dioxide. One standout molecule, C₄O₉, proved capable of matching over 80% of TNT’s energy yield.

“We’ve discovered a bizarre zoo of 224 oxocarbons,” said lead researcher Elizaveta Vaneeva. “Among them, 32 have clear explosive potential and real chances of synthesis.” These include promising newcomers like C₄O₈, C₆O₁₂, and C₆O₁₃.

From Crystals to Molecular Magic

Principal investigator Professor Artem R. Oganov emphasized that molecules might hold more surprises than crystals: “The variability of molecular compositions is enormous. We’ve extended the concept of ‘magic numbers’—known from nuclear physics—to molecular chemistry to understand which of these compounds are truly stable.”

Using this idea of “magicity,” the team pinpointed molecules that are energetically more stable than their nearest variants, marking them as prime candidates for real-world synthesis.

Applications Beyond Explosives

These molecules aren’t just for making things go boom. They could become essential in multiple fields:

  • Advanced rocket propellants
  • Electrode materials for lithium-ion batteries
  • Atmospheric chemistry models
  • Biochemical and combustion studies
  • Astrochemical exploration of interstellar space and planetary atmospheres

Despite carbon and oxygen being two of the most common elements in the universe, our understanding of their compound diversity has remained limited. This Skoltech study dramatically expands that knowledge base.

Reference

“Exploring the diversity of molecular carbon oxides, and their potential as high energy density materials” by Elizaveta E. Vaneeva, Sergey V. Lepeshkin, Dmitry V. Rybkovskiy and Artem R. Oganov, published February 6, 2025, in Materials Today Energy. DOI: 10.1016/j.mtener.2025.101821

Read the full article here: SciTechDaily – Rivaling TNT: Scientists Discover “Magic Molecules” With Explosive Potential.

Published on Quantum Server Networks – Your Gateway to Cutting-Edge Materials Science News.

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