Home / Publications / Structure-defining interactions in the salt cocrystals of [(Me5C5)2Fe]+I3−—XC6H4OH X=Cl, I: weak noncovalent vs. strong ionic bonding

Structure-defining interactions in the salt cocrystals of [(Me5C5)2Fe]+I3−—XC6H4OH X=Cl, I: weak noncovalent vs. strong ionic bonding

Yurii Valentinovich Torubaev 1
Yurii Valentinovich Torubaev
, 
Ivan Vladimirovich Skabitsky 1
Ivan Vladimirovich Skabitsky
, 
Konstantin Alexandrovich Lyssenko 2, 3
Konstantin Alexandrovich Lyssenko
10.1016/j.mencom.2020.09.009
Published 2020-08-31
Communication , Volume 30, Issue 5, 580-582
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Torubaev Y. V., Skabitsky I. V., Lyssenko K. A. Structure-defining interactions in the salt cocrystals of [(Me5C5)2Fe]+I3−—XC6H4OH X=Cl, I: weak noncovalent vs. strong ionic bonding // Mendeleev Communications. 2020. Vol. 30. No. 5. pp. 580-582.
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Torubaev Y. V., Skabitsky I. V., Lyssenko K. A. Structure-defining interactions in the salt cocrystals of [(Me5C5)2Fe]+I3−—XC6H4OH X=Cl, I: weak noncovalent vs. strong ionic bonding // Mendeleev Communications. 2020. Vol. 30. No. 5. pp. 580-582.
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TY - JOUR
DO - 10.1016/j.mencom.2020.09.009
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.09.009
TI - Structure-defining interactions in the salt cocrystals of [(Me5C5)2Fe]+I3−—XC6H4OH X=Cl, I: weak noncovalent vs. strong ionic bonding
T2 - Mendeleev Communications
AU - Torubaev, Yurii Valentinovich
AU - Skabitsky, Ivan Vladimirovich
AU - Lyssenko, Konstantin Alexandrovich
PY - 2020
DA - 2020/08/31
PB - Mendeleev Communications
SP - 580-582
IS - 5
VL - 30
ER -
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@article{2020_Torubaev,
author = {Yurii Valentinovich Torubaev and Ivan Vladimirovich Skabitsky and Konstantin Alexandrovich Lyssenko},
title = {Structure-defining interactions in the salt cocrystals of [(Me5C5)2Fe]+I3−—XC6H4OH X=Cl, I: weak noncovalent vs. strong ionic bonding},
journal = {Mendeleev Communications},
year = {2020},
volume = {30},
publisher = {Mendeleev Communications},
month = {Aug},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.09.009},
number = {5},
pages = {580--582},
doi = {10.1016/j.mencom.2020.09.009}
}
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Torubaev, Yurii Valentinovich, et al. “Structure-defining interactions in the salt cocrystals of [(Me5C5)2Fe]+I3−—XC6H4OH X=Cl, I: weak noncovalent vs. strong ionic bonding.” Mendeleev Communications, vol. 30, no. 5, Aug. 2020, pp. 580-582. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.09.009.
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Keywords

cocrystals
ferrocene
ferrocenyl
halogen bonding
hydrogen bonding
intermolecular interactions
polyiodide
supramolecular
ternary crystals

Abstract

In the cocrystalline salts [(Me5C5)2Fe]+I3−/(4-XC6H4OH) (X = Cl, I) the directionality of \( \mathrm{X \cdots I\text{-}I_2} \) halogen bonds is a significant packing factor notwithstanding their relatively low energies (∼10 kcal mol−1), as compared to the fivefold stronger ionic bonding between [(Me5C5)2Fe+] and [I3]− (∼50 kcal mol−1). This adds significant details to the structural landscape of [(Me5C5)2Fe+]I3 and offers an illustrative example of the stronger structure-defining effect of halogen bonding over the hydrogen one.

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