Thermodynamics of the ion association of potassium cobalt(III) bis(1,2-dicarbollide) in acetonitrile, methanol and dimethyl sulfoxide

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F23%3A10471106" target="_blank" >RIV/00216208:11310/23:10471106 - isvavai.cz</a>

Result on the web

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=wy6otDHvqJ" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=wy6otDHvqJ</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.molliq.2023.123234" target="_blank" >10.1016/j.molliq.2023.123234</a>

Result language

angličtina

Original language name

Thermodynamics of the ion association of potassium cobalt(III) bis(1,2-dicarbollide) in acetonitrile, methanol and dimethyl sulfoxide

Original language description

The molar conductivities, Λ, of dilute solutions of potassium cobalt(III) bis(1,2-dicarbollide) (K[COSAN]) in methanol (MeOH), acetonitrile (MeCN) and dimethyl sulfoxide (DMSO) were determined at different temperature ranges. The data were analysed in the frame of Barthel&apos;s low-concentration chemical model (lcCM) to obtain the limiting molar conductivities,Λoo, and standard association constants, KAo, of K[COSAN]. To confirm the ion association of oppositely charged ions K+ and [COSAN]-, molecular dynamics (MD) simulations were performed, in which the values of KAo from the potential of the mean force between the pair of particles (ions) were determined. From temperature dependence of KAo, the thermodynamic parameters for ion association, namely standard free enthalpy ΔGAo, enthalpy ΔHAo, and entropy ΔSAo, were estimated. The dilution enthalpies of concentrated solutions of K[COSAN] in organic solvents were also determined by using isothermal titration calorimetry (ITC). Our experimental results show that K+ and [COSAN]- ions form ion pairs in all the investigated solvents. Ion association is most pronounced in MeOH and MeCN and the least expressed in DMSO, the process is endothermic and is accompanied by an increase in entropy. The agreement between the calculated values of KAo and the thermodynamic parameters obtained by conductivity and MD simulations follow the same trend.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10403 - Physical chemistry

Project

<a href="/en/project/GF21-20008K" target="_blank" >GF21-20008K: Metallacarboranes as unique platform for fabrication of functional nano-assemblies and polymer materials</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2023

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Molecular Liquids

ISSN

0167-7322

e-ISSN

1873-3166

Volume of the periodical

391

Issue of the periodical within the volume

Part A, December

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

7

Pages from-to

123234

UT code for WoS article

001103874800002

EID of the result in the Scopus database

2-s2.0-85173811682