Molecular Origin of the Sign Preference of Ion- Induced Heterogeneous Nucleation in a Complex Ionic Liquid–Diethylene Glycol System

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dc.contributor.author Keshavarz, Fatemeh
dc.contributor.author Kubecka, Jakub
dc.contributor.author Attoui, Michel
dc.contributor.author Vehkamäki, Hanna
dc.contributor.author Kurten, Theo
dc.contributor.author Kangasluoma, Juha
dc.date.accessioned 2021-11-22T22:46:58Z
dc.date.available 2021-12-18T03:45:25Z
dc.date.issued 2020-11-23
dc.identifier.citation Keshavarz , F , Kubecka , J , Attoui , M , Vehkamäki , H , Kurten , T & Kangasluoma , J 2020 , ' Molecular Origin of the Sign Preference of Ion- Induced Heterogeneous Nucleation in a Complex Ionic Liquid–Diethylene Glycol System ' , Journal of Physical Chemistry C , vol. 124 , no. 49 , pp. 26944–26952 . https://doi.org/10.1021/acs.jpcc.0c09481
dc.identifier.other PURE: 157492753
dc.identifier.other PURE UUID: 9d2c3d34-b194-4815-8e7c-6b81adc2aa69
dc.identifier.other ORCID: /0000-0002-5018-1255/work/86484208
dc.identifier.other ORCID: /0000-0002-6416-4931/work/86487691
dc.identifier.other ORCID: /0000-0002-1639-1187/work/86487935
dc.identifier.other ORCID: /0000-0002-8002-0911/work/86487946
dc.identifier.other WOS: 000599610500043
dc.identifier.uri http://hdl.handle.net/10138/336601
dc.description.abstract Heterogeneous nucleation on charged seeds has been shown to frequently prefer a given sign of electrical charge (anion or cation), at constant seed size and (apparent) chemical composition. For some systems, this sign preference can be readily understood in terms of individual chemical interactions. However, experiments are in general unable to provide satisfying molecular-level explanations for the sign preference of chemically complex systems. Here, we experimentally demonstrate a positive sign preference for charged ionic liquid seeds (CILS) with diethylene glycol vapor (DEG) and explain the physicochemical origins of this preference via quantum chemical calculations. The computational results show that all enthalpies and free energies for adsorption of DEG onto the CILS clusters are lower for the positively charged seeds compared to those for the negatively charged seeds. The main reason for this difference is the stronger hydrogen bonds in the cationic clusters originating from the ability of imidazolium-based cations to act as hydrogen bond acceptors. en
dc.format.extent 9
dc.language.iso eng
dc.relation.ispartof Journal of Physical Chemistry C
dc.rights.uri info:eu-repo/semantics/openAccess
dc.subject 116 Chemical sciences
dc.title Molecular Origin of the Sign Preference of Ion- Induced Heterogeneous Nucleation in a Complex Ionic Liquid–Diethylene Glycol System en
dc.type Article
dc.contributor.organization INAR Physics
dc.contributor.organization Institute for Atmospheric and Earth System Research (INAR)
dc.contributor.organization Department of Chemistry
dc.description.reviewstatus Peer reviewed
dc.relation.doi https://doi.org/10.1021/acs.jpcc.0c09481
dc.relation.issn 1932-7447
dc.rights.accesslevel openAccess
dc.type.version acceptedVersion

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