Propargyl-substituted furazanoazepines: synthesis, structure, enthalpy of formation, ballistic efficiency

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Abstract

7-Propargyl-7H-difurazano[3,4-b :3′,4′-f]furoxano[3″,4″-d]azepine (Az(O)Prg) and 7-propargyl-7H-trifurazano[3,4-b :3′,4′-d :3″,4″-f]azepine (AzPrg) as potential dispersants of solid fuels for gas-generating engines were synthesized for the first time. Their molecular structure, enthalpies of combustion and formation are determined. The relative aircraft flight range is estimated when using Az(O)Prg and AzPrg as fuel dispersants.

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About the authors

D. B. Lempert

Institute of Problems of Chemical Physics, Russian Academy of Sciences

Author for correspondence.
Email: lempert@icp.ac.ru
Russian Federation, Chernogolovka

E. L. Ignatieva

Institute of Problems of Chemical Physics, Russian Academy of Sciences

Email: lempert@icp.ac.ru
Russian Federation, Chernogolovka

A. I. Stepanov

“Tekhnolog” Special Design and Technological Bureau

Email: lempert@icp.ac.ru
Russian Federation, St. Petersburg

D. V. Dashko

“Tekhnolog” Special Design and Technological Bureau

Email: lempert@icp.ac.ru
Russian Federation, St. Petersburg

A. I. Kazakov

Institute of Problems of Chemical Physics, Russian Academy of Sciences

Email: lempert@icp.ac.ru
Russian Federation, Chernogolovka

A. V. Nabatova

Institute of Problems of Chemical Physics, Russian Academy of Sciences

Email: lempert@icp.ac.ru
Russian Federation, Chernogolovka

G. V. Shilov

Institute of Problems of Chemical Physics, Russian Academy of Sciences

Email: lempert@icp.ac.ru
Russian Federation, Chernogolovka

G. V. Lagodzinskaya

Institute of Problems of Chemical Physics, Russian Academy of Sciences

Email: lempert@icp.ac.ru
Russian Federation, Chernogolovka

D. V. Korchagin

Institute of Problems of Chemical Physics, Russian Academy of Sciences

Email: lempert@icp.ac.ru
Russian Federation, Chernogolovka

S. M. Aldoshin

Institute of Problems of Chemical Physics, Russian Academy of Sciences

Email: lempert@icp.ac.ru
Russian Federation, Chernogolovka

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Supplementary files

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2. Fig. 1. Molecular structure of AzPrg. Atoms are depicted as 50% probability ellipsoids. Hydrogen atoms are not labeled.

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3. Fig. 2. Packing of AzPrg crystal structure. Atoms are depicted as 50% probability ellipsoids.

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4. Fig. 3. Fragment of the crystal structure of AzPrg. Atoms are represented as ellipsoids of 50% probability. Dashed lines show van der Waals interactions (contacts).

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5. Fig. 4. Molecular structure of Az(O)Prg. Atoms are depicted as ellipsoids of 50% probability. Hydrogen atoms are not labeled.

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6. Fig. 5. Projection of the Az(O)Prg crystal structure onto a plane along the cell axis ab.

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7. Fig. 6. Energy and topology of the strongest pairwise intermolecular interactions in crystal structures: a - AzPrg, b - Az(O)Prg.

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