2026-10-14T22:10:49Z https://api.figshare.com/v2/oai

oai:figshare.com:article/34021324 2026-09-29T05:08:37Z category_12 category_16 category_21 category_24 category_272 category_39 category_931 portal_63 item_type_6 month_year_09_2026

Concise Route to a Fully Tetrazolyl-Substituted Imidazole Isomer for Connectivity-Guided Energetic Material Design Jatinder Singh (1502380) Richard J. Staples (1458085) Jean’ne M. Shreeve (1267290) Cell Biology Physiology Biotechnology Evolutionary Biology Environmental Sciences not elsewhere classified Ecology Information Systems not elsewhere classified low mechanical sensitivity energetic group content competitive energetic properties yl )- 1 substituted imidazole isomer substituted imidazole energetic composition >- imidazole tricyanoimidazole precursor tetrazolyl composition synthetic accessibility steps needed results show practical consideration molecular formula h </ fully tetrazolyl constitutional isomerism concise route comparison shows >- tetrazol Constitutional isomerism provides a way to compare energetic materials without changing the molecular formula or energetic group content. Now, we report the synthesis of a previously unexplored fully tetrazolyl-substituted imidazole, 2,4,5-tris(1<i>H</i>-tetrazol-5-yl)-1<i>H</i>-imidazole, from a tricyanoimidazole precursor. The compound was compared to two reported constitutional isomers that contain the same tetrazolyl composition but require different synthetic routes. This comparison shows that the number of steps needed to reach the same energetic composition is a practical consideration. The new isomer shows good thermal stability, low mechanical sensitivity, and competitive energetic properties while being accessed through a concise route. These results show that constitutional isomerism can help identify energetic frameworks that balance the synthetic accessibility and performance. 2026-09-29T00:00:00Z Text Journal contribution 10.1021/acs.orglett.6c03814.s001 https://figshare.com/articles/journal_contribution/Concise_Route_to_a_Fully_Tetrazolyl-Substituted_Imidazole_Isomer_for_Connectivity-Guided_Energetic_Material_Design/34021324 CC BY-NC 4.0