Synthesis and structural characterization of the Z-isomer of 1,2-bis(tetrazol-5-yl)ethylene (H2bte) via photoinduced isomerization
Junhao Shi, Sicheng Liao, Shiliang Huang, Tianyu Jiang, Kangcai Wang, Wenquan Zhang
TL;DR
Researchers successfully synthesized and characterized the Z-isomer of a compound using UV light, revealing structural differences and potential applications in energetic materials.
Contribution
The first successful synthesis and structural characterization of the Z-isomer of H2bte via photoinduced isomerization.
Findings
Z-H2bte crystals exhibit a non-planar structure and distinct hydrogen-bonding network compared to the E-isomer.
Sodium and cesium complexes of both isomers show similar packing and coordination modes.
Photoinduced isomerization offers a pathway to modulate molecular properties in energetic systems.
Abstract
This study demonstrates the photoinduced E→Z isomerization of 1,2-bis(tetrazol-5-yl)ethylene (H2bte), leading to the first successful growth and structural characterization of its Z-isomer single crystal. Through optimized 365 nm UV irradiation and subsequent recrystallization, phase-pure Z-1,2-bis(tetrazol-5-yl)ethylene (Z-H2bte) (91.9%) was obtained. Single-crystal X-ray diffraction analysis uncovered a non-planar molecular structure for Z-H2bte, which fosters a distinct hydrogen-bonding network and crystal packing architecture compared to the planar E-isomer. The two isomers were further applied to the construction of sodium and cesium-based metal complexes, with the findings indicating that both isomers present a similar packing and connection mode. This work establishes an experimental foundation for understanding the E/Z photoisomerization and concomitant structural evolution in…
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Taxonomy
TopicsSynthesis of Tetrazole Derivatives · Energetic Materials and Combustion · Click Chemistry and Applications