AI Article Synopsis
- The text discusses the synthesis and physical properties of six different isomeric cyclobutane nitric esters, highlighting that their calculated performances are similar despite significant differences in their physical properties.
- It emphasizes that altering stereo- and regiochemistry allows for the creation of versatile materials ranging from low- or high-melting solids to liquid propellants and melt-castable explosives.
- The results suggest that while theoretical calculations are useful, the specific molecular structure (stereo- and regiochemistry) plays a crucial role in the effective design of energetic materials.
Article Abstract
The synthesis, physical properties, and calculated performances of six stereo- and regioisomeric cyclobutane nitric ester materials are described. While the calculated performances of these isomers, as expected, were similar, their physical properties were found to be extremely different. By alteration of the stereo- and regiochemistry, complete tunability in the form of low- or high-melting solids, stand-alone melt-castable explosives, melt-castable explosive eutectic compounds, and liquid propellant materials was obtained. This demonstrates that theoretical calculations should not be the main factor in driving the design of new materials and that stereo- and regiochemistry matter in the design of compounds of potential relevance to energetic formulators.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6996794 | PMC |
| http://dx.doi.org/10.1021/jacs.9b06961 | DOI Listing |
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