Adducts of trinitropyrazole salts with hydrogen peroxide: new hybrid approach to optimize oxygen balance and stability

Adducts of trinitropyrazole salts with hydrogen peroxide: new hybrid approach to optimize oxygen balance and stability Научная публикация

Журнал

Inorganic Chemistry Communications
ISSN: 1387-7003 , E-ISSN: 1879-0259

Вых. Данные

Год: 2026, Том: 191, Номер статьи : 117082, Страниц : 11 DOI: 10.1016/j.inoche.2026.117082

Ключевые слова

Peroxosolvates, Trinitropyrazole, Crystal packing, Hydrogen bonding, Peroxomorphism

Авторы

Medvedev Alexander G. ¹ , Egorov Pavel A. ¹ , Prikhodchenko Petr V. ¹ , Kiseleva Marina A. ¹ , Kalle Paulina ¹ , Vener Mikhail V. ¹ , Dalinger Igor L. ² , Khoranyan Tigran E. ² , Pivkina Alla N. ³ , Churakov Andrei V. ¹

Организации

1	N.S.Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii prosp. 31, 119991 Moscow, Russia
2	N.D.Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Leninskii prosp. 47, 119991 Moscow, Russia
3	N.N. Semenov Federal Research Center for Chemical Physic, Russian Academy of Sciences, Kosygina str. 4, 119991 Moscow, Russia

Five novel peroxosolvates of 3,4,5-trinitropyrazole salts (KTNP•H2O2, KTNP•0.9(H2O2)•0.1(H2O), CsTNP•0.5 (H2O2), CsTNP•H2O2, and GuaTNP•H2O2) were reported. Crystal structures of obtained adducts (and their starting salts) were determined. In peroxide adducts, metal atoms exhibit irregular coordination polyhedra with CN numbers ranging from 10 to 12 and are bonded with two or three H2O2 ligands. All obtained hydrogen peroxide adducts are stabilized by hydrogen bonding networks between peroxide molecules and organic anions. Potassium derivative KTNP•H2O2 is readily obtained from dilute peroxide solutions and shows high thermal stability for peroxide adducts and acceptable impact and friction sensitivities. Periodic DFT calculations show that high stability is a consequence of the significantly higher lattice energy for peroxosolvate than for the unsolvated salt or hydrate.

Medvedev A.G. , Egorov P.A. , Prikhodchenko P.V. , Kiseleva M.A. , Kalle P. , Vener M.V. , Dalinger I.L. , Khoranyan T.E. , Pivkina A.N. , Churakov A.V.
Adducts of trinitropyrazole salts with hydrogen peroxide: new hybrid approach to optimize oxygen balance and stability
Inorganic Chemistry Communications. 2026. V.191. 117082 :1-11. DOI: 10.1016/j.inoche.2026.117082 Scopus OpenAlex

Поступила в редакцию:	29 апр. 2026 г.
Принята к публикации:	18 июн. 2026 г.
Опубликована online:	21 июн. 2026 г.

≡ Scopus:	2-s2.0-105042580530
≡ OpenAlex:	W7165480140