Abstract:
Hydrogen bonding has been shown to be predominant among the interaction types for systems involving the [Co(nH3)6]3+cation and various anions/molecules. This study examines the
role of intermolecular bonds and their quantitative and qualitative investigation between 3-sulfobenzoic acid (3-sbH2) and the cobalt(III) hexaamine complex cation in molecular crystals.
Two new multi-component compounds [Co(nH3)6]Cl(3-sb)·H2O (1) and [Co(nH3)6]2Cl2(3-sb)
(sO4)·7H2O (2) were synthesized and characterized. The single crystal X-ray diffraction study
reveals that in these compounds the complex cation [Co(nH3)6]3+ serves as a basic element for
the incorporation of various anions/molecules and promotes the formation of multi-component
compounds with extended networks via H-bonds. The analysis of the Hirshfeld surfaces allowed
the quantitative and qualitative identifcation of the main contacts involved in the molecular
packing of the crystals.
Description:
BELEAEV, Ecaterina, KRAVȚOV, Victor, BACA, Svetlana. Analiza suprafeței Hirshfeld ale interacțiunilor intermoleculare în co-cristale de [Co(NH3)6]3+ și acid 3-sulfobenzoic. In: Integrare prin cercetare și inovare: conferința științifică națională cu participare internațională. Ştiinţe ale naturii și exacte, 9-10 noiembrie 2023. CEP USM, 2024, pp. 457-466. ISBN 978-9975-62-690-3.