The Crystal Structure of Dodecahedral Ba2+ Hexa-Perchlorate Complex Tetrakis 1-N-Propyl-3-vinyl-imidazol-1-ium·Barium Hexa-Perchlorate

Yuval Zertal; Natalia Fridman; Levi Gottlieb; Yoav Eichen

doi:10.3390/molecules29215010

The Crystal Structure of Dodecahedral Ba²⁺ Hexa-Perchlorate Complex Tetrakis 1-N-Propyl-3-vinyl-imidazol-1-ium·Barium Hexa-Perchlorate

Yuval Zertal
, Natalia Fridman
, Levi Gottlieb
, Yoav Eichen

Technion-Israel Institute of Technology
RAFAEL Armament Development Authority Ltd.

Research output: Contribution to journal › Article › peer-review

Abstract

In cold methanol, energetic ionic liquid 1-n-propyl-3-vinyl-imidazol-1-ium perchlorate, 1, crystallizes in the presence of excess Ba(ClO₄)₂, 2, into tetrakis 1-propyl-3-vinyl-imidazol-1-ium·barium hexa-perchlorate, 3. Crystals of 3, with molecular formula (C₈H₁₃N₂)₄·BaCl₆O₂₄, are colorless and monoclinic, with space group P2₁/c. The crystal structure is characterized by a dodecahedral coordination around the barium atom, with each perchlorate chelating Ba²⁺ in a κ²O,O’ fashion, and the Ba(ClO₄)₆⁴⁻ anion is surrounded by four imidazolium cations.

Original language	English
Article number	5010
Journal	Molecules
Volume	29
Issue number	21
DOIs	https://doi.org/10.3390/molecules29215010
State	Published - Nov 2024
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2024 by the authors.

Keywords

energetic materials
high coordination number
ionic liquids

Access to Document

10.3390/molecules29215010

Cite this

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title = "The Crystal Structure of Dodecahedral Ba2+ Hexa-Perchlorate Complex Tetrakis 1-N-Propyl-3-vinyl-imidazol-1-ium·Barium Hexa-Perchlorate",

abstract = "In cold methanol, energetic ionic liquid 1-n-propyl-3-vinyl-imidazol-1-ium perchlorate, 1, crystallizes in the presence of excess Ba(ClO4)2, 2, into tetrakis 1-propyl-3-vinyl-imidazol-1-ium·barium hexa-perchlorate, 3. Crystals of 3, with molecular formula (C8H13N2)4·BaCl6O24, are colorless and monoclinic, with space group P21/c. The crystal structure is characterized by a dodecahedral coordination around the barium atom, with each perchlorate chelating Ba2+ in a κ2O,O{\textquoteright} fashion, and the Ba(ClO4)64− anion is surrounded by four imidazolium cations.",

keywords = "energetic materials, high coordination number, ionic liquids",

author = "Yuval Zertal and Natalia Fridman and Levi Gottlieb and Yoav Eichen",

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doi = "10.3390/molecules29215010",

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T1 - The Crystal Structure of Dodecahedral Ba2+ Hexa-Perchlorate Complex Tetrakis 1-N-Propyl-3-vinyl-imidazol-1-ium·Barium Hexa-Perchlorate

AU - Zertal, Yuval

AU - Fridman, Natalia

AU - Gottlieb, Levi

AU - Eichen, Yoav

PY - 2024/11

Y1 - 2024/11

N2 - In cold methanol, energetic ionic liquid 1-n-propyl-3-vinyl-imidazol-1-ium perchlorate, 1, crystallizes in the presence of excess Ba(ClO4)2, 2, into tetrakis 1-propyl-3-vinyl-imidazol-1-ium·barium hexa-perchlorate, 3. Crystals of 3, with molecular formula (C8H13N2)4·BaCl6O24, are colorless and monoclinic, with space group P21/c. The crystal structure is characterized by a dodecahedral coordination around the barium atom, with each perchlorate chelating Ba2+ in a κ2O,O’ fashion, and the Ba(ClO4)64− anion is surrounded by four imidazolium cations.

AB - In cold methanol, energetic ionic liquid 1-n-propyl-3-vinyl-imidazol-1-ium perchlorate, 1, crystallizes in the presence of excess Ba(ClO4)2, 2, into tetrakis 1-propyl-3-vinyl-imidazol-1-ium·barium hexa-perchlorate, 3. Crystals of 3, with molecular formula (C8H13N2)4·BaCl6O24, are colorless and monoclinic, with space group P21/c. The crystal structure is characterized by a dodecahedral coordination around the barium atom, with each perchlorate chelating Ba2+ in a κ2O,O’ fashion, and the Ba(ClO4)64− anion is surrounded by four imidazolium cations.

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