Home / Publications / Halogen vs. ionic bonding: an unusual isomorphism between the neutral (C5Me5)2Fe/C2I2 cocrystal and ionic [(C5Me5)2Fe]Br3 crystal

Halogen vs. ionic bonding: an unusual isomorphism between the neutral (C5Me5)2Fe/C2I2 cocrystal and ionic [(C5Me5)2Fe]Br3 crystal

Yurii Valentinovich Torubaev 1
Yurii Valentinovich Torubaev
, 
Ivan Vladimirovich Skabitsky 1
Ivan Vladimirovich Skabitsky
, 
George A Saratov 2, 3
George A Saratov
, 
Petr Yurievich Barzilovich 2
Petr Yurievich Barzilovich
10.1016/j.mencom.2021.01.017
Published 2020-12-30
Communication , Volume 31, Issue 1, 58-61
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Torubaev Y. V. et al. Halogen vs. ionic bonding: an unusual isomorphism between the neutral (C5Me5)2Fe/C2I2 cocrystal and ionic [(C5Me5)2Fe]Br3 crystal // Mendeleev Communications. 2020. Vol. 31. No. 1. pp. 58-61.
GOST all authors (up to 50) Copy
Torubaev Y. V., Skabitsky I. V., Saratov G. A., Barzilovich P. Y. Halogen vs. ionic bonding: an unusual isomorphism between the neutral (C5Me5)2Fe/C2I2 cocrystal and ionic [(C5Me5)2Fe]Br3 crystal // Mendeleev Communications. 2020. Vol. 31. No. 1. pp. 58-61.
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TY - JOUR
DO - 10.1016/j.mencom.2021.01.017
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.01.017
TI - Halogen vs. ionic bonding: an unusual isomorphism between the neutral (C5Me5)2Fe/C2I2 cocrystal and ionic [(C5Me5)2Fe]Br3 crystal
T2 - Mendeleev Communications
AU - Torubaev, Yurii Valentinovich
AU - Skabitsky, Ivan Vladimirovich
AU - Saratov, George A
AU - Barzilovich, Petr Yurievich
PY - 2020
DA - 2020/12/30
PB - Mendeleev Communications
SP - 58-61
IS - 1
VL - 31
ER -
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@article{2020_Torubaev,
author = {Yurii Valentinovich Torubaev and Ivan Vladimirovich Skabitsky and George A Saratov and Petr Yurievich Barzilovich},
title = {Halogen vs. ionic bonding: an unusual isomorphism between the neutral (C5Me5)2Fe/C2I2 cocrystal and ionic [(C5Me5)2Fe]Br3 crystal},
journal = {Mendeleev Communications},
year = {2020},
volume = {31},
publisher = {Mendeleev Communications},
month = {Dec},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.01.017},
number = {1},
pages = {58--61},
doi = {10.1016/j.mencom.2021.01.017}
}
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Torubaev, Yurii Valentinovich, et al. “Halogen vs. ionic bonding: an unusual isomorphism between the neutral (C5Me5)2Fe/C2I2 cocrystal and ionic [(C5Me5)2Fe]Br3 crystal.” Mendeleev Communications, vol. 31, no. 1, Dec. 2020, pp. 58-61. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.01.017.

Keywords

charge-transfer complexes
cocrystals
energy framework
ferrocene
ferrocenium
ferrocenyl
halogen bonding
intermolecular interactions
iodoacetylene
polybromides
polyiodides
self-assembly
supramolecular

Abstract

Almost equal molecular sizes of diiodoacetylene (C2I2) and the [Br3]− anion result in isomorphic neutral cocrystal (DMFc–C2I2) and [DMFc]+Br3− salt. This isomorphic pair of neutral and ionic crystals provides a unique example for the analysis of different types of bonding resulting in isotypic solid-state structures. Their energy frameworks visualize the obvious difference between their energetic structures: the lattice of DMFc–C2I2 is built upon the chains stabilized by I···(η5-C5Me5) halogen bonds; at the same time, [DMFc]+Br3− consists of electrostatically assembled layers associated by Br···π(Cp*) XBs interactions.

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