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

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http://hdl.handle.net/10138/336601

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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

Julkaisun nimi: Molecular Origin of the Sign Preference of Ion- Induced Heterogeneous Nucleation in a Complex Ionic Liquid–Diethylene Glycol System
Tekijä: Keshavarz, Fatemeh; Kubecka, Jakub; Attoui, Michel; Vehkamäki, Hanna; Kurten, Theo; Kangasluoma, Juha
Tekijän organisaatio: INAR Physics
Institute for Atmospheric and Earth System Research (INAR)
Department of Chemistry
Päiväys: 2020-11-23
Kieli: eng
Sivumäärä: 9
Kuuluu julkaisusarjaan: Journal of Physical Chemistry C
ISSN: 1932-7447
DOI-tunniste: https://doi.org/10.1021/acs.jpcc.0c09481
URI: http://hdl.handle.net/10138/336601
Tiivistelmä: 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.
Avainsanat: 116 Chemical sciences
Vertaisarvioitu: Kyllä
Pääsyrajoitteet: openAccess
Rinnakkaistallennettu versio: acceptedVersion


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