Unusual Investigation of Polycyclic Saturated Tetrazine: A Breakthrough to 1,2,4,5‐Tetrazine

Abstract

in Wiley Online Library (wileyonlinelibrary.com).The theoretical investigation of polycyclic saturated tetrazine is a novel process, and the reaction of 1,2,4,5-tetrazine with diazomethane that undergoes polymerization reaction has been studied by using a computational method, and it gives dinitrogen (N 2 ) as the major product. The spectroscopic studies, bond length, bond angle, heat of formation, and densities are measure of investigations in this communication.The theoretical evidence of the possibility to synthesize polycyclic saturated tetrazine is a major challenge for nitrogen-rich chemistry.

Structure–property relationship of coplanar binary nitrogen‐rich fused ring using theoretical calculation

“…[ 5 ] At the same time, due to the high enthalpy of formation, high density, good thermal stability, and low impact sensitivity of nitrogen‐rich heterocycles, they are often used as research objects. [ 6,7 ]…”

“…[5] At the same time, due to the high enthalpy of formation, high density, good thermal stability, and low impact sensitivity of nitrogen-rich heterocycles, they are often used as research objects. [6,7] In recent years, some researchers have evaluated the effect of coplanarity on the detonation properties of some nitrogen-rich heterocycles. [8,9] For example, Huang [10] found that when the molecular structure of nitrogen-rich heterocycles tends to a two-dimensional plane, the detonation velocity, detonation pressure, heat of formation (HOF), and density of the compound are all increased, as shown in Figure 1.…”