LrgpV1, Hal, Checkpoint, bibRecord, 000117

Experimental and theoretically study of interaction between organic compounds and tricyanomethanide based ionic liquids

Identifieur interne : 000117 ( Hal/Checkpoint ); précédent : 000116; suivant : 000118

Experimental and theoretically study of interaction between organic compounds and tricyanomethanide based ionic liquids

Auteurs : Elena Lukoshko [Pologne] ; Fabrice Mutelet [France] ; Urszula Domanska [Pologne]

Source :

Journal of Chemical Thermodynamics [ 0021-9614 ] ; 2015-06.

RBID : Hal:hal-01267002

Abstract

Activity coefficients at infinite dilution (gamma(infinity)(1,2)) for 35 solutes in two new tricyanomethanide containing Ionic Liquids were measured by inverse gas chromatography at temperatures from (318.15 to 368.15) K. Most organic compounds have stronger affinity with 1-butyl-4-methylpyridinium tricyanomethanide than 1-butyl-3-methylimidazolium tricyanomethanide. The retention data were further converted to gas-to-IL and analyzed using the Abraham solvation parameter model. The LSER treatment indicates that the most dominant interaction constants for this family of ILs are strong dipolarity, hydrogen bond basicity and acidity. Quantum chemical gas phase DFT calculations were performed on isolated ion pairs at the 6-311 ++ G(d,p) level basis. It was found that the stacking structure of cation and anion is compact in the [BMIM][TCM] system and relatively loose in the [BMPY][TCM] system allowing a facile restructuring of the ionic liquid [BMPY][TCM] in the process of organic compounds dissolution.

Url:

https://hal.univ-lorraine.fr/hal-01267002

DOI: 10.1016/j.jct.2014.12.027

Links toward previous steps (curation, corpus...)

to stream Hal, to step Corpus: 000482
to stream Hal, to step Curation: 000482

Links to Exploration step

Hal:hal-01267002

Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Experimental and theoretically study of interaction between organic compounds and tricyanomethanide based ionic liquids</title>
<author><name sortKey="Lukoshko, Elena" sort="Lukoshko, Elena" uniqKey="Lukoshko E" first="Elena" last="Lukoshko">Elena Lukoshko</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-102444" status="INCOMING"><orgName>Warsaw Univ Technol, Fac Chem</orgName>
<desc><address><addrLine>PL-00664 Warsaw</addrLine>
<country key="PL"></country>
</address>
</desc>
<listRelation><relation active="#struct-321110" type="direct"></relation>
</listRelation>
<tutelles><tutelle active="#struct-321110" type="direct"><org type="institution" xml:id="struct-321110" status="INCOMING"><orgName>Warsaw Univ Technol</orgName>
<desc><address><country key="FR"></country>
</address>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>Pologne</country>
</affiliation>
</author>
<author><name sortKey="Mutelet, Fabrice" sort="Mutelet, Fabrice" uniqKey="Mutelet F" first="Fabrice" last="Mutelet">Fabrice Mutelet</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-211875" status="VALID"><idno type="IdRef">153068876</idno>
<idno type="RNSR">201320573K</idno>
<idno type="IdUnivLorraine">[UL]RQC--</idno>
<orgName>Laboratoire Réactions et Génie des Procédés</orgName>
<orgName type="acronym">LRGP</orgName>
<date type="start">2013-01-01</date>
<desc><address><addrLine>Université de Lorraine - ENSIC, 1 rue de Grandville BP 20451, 54001 Nancy Cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://lrgp.univ-lorraine.fr/</ref>
</desc>
<listRelation><relation active="#struct-413289" type="direct"></relation>
<relation name="UMR7274" active="#struct-441569" type="direct"></relation>
</listRelation>
<tutelles><tutelle active="#struct-413289" type="direct"><org type="institution" xml:id="struct-413289" status="VALID"><idno type="IdRef">157040569</idno>
<idno type="IdUnivLorraine">[UL]100--</idno>
<orgName>Université de Lorraine</orgName>
<orgName type="acronym">UL</orgName>
<date type="start">2012-01-01</date>
<desc><address><addrLine>34 cours Léopold - CS 25233 - 54052 Nancy cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://www.univ-lorraine.fr/</ref>
</desc>
</org>
</tutelle>
<tutelle name="UMR7274" active="#struct-441569" type="direct"><org type="institution" xml:id="struct-441569" status="VALID"><idno type="ISNI">0000000122597504</idno>
<idno type="IdRef">02636817X</idno>
<orgName>Centre National de la Recherche Scientifique</orgName>
<orgName type="acronym">CNRS</orgName>
<date type="start">1939-10-19</date>
<desc><address><country key="FR"></country>
</address>
<ref type="url">http://www.cnrs.fr/</ref>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>France</country>
<placeName><settlement type="city">Nancy</settlement>
<settlement type="city">Metz</settlement>
<region type="region" nuts="2">Grand Est</region>
<region type="old region" nuts="2">Lorraine (région)</region>
</placeName>
<orgName type="university">Université de Lorraine</orgName>
</affiliation>
</author>
<author><name sortKey="Domanska, Urszula" sort="Domanska, Urszula" uniqKey="Domanska U" first="Urszula" last="Domanska">Urszula Domanska</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-102444" status="INCOMING"><orgName>Warsaw Univ Technol, Fac Chem</orgName>
<desc><address><addrLine>PL-00664 Warsaw</addrLine>
<country key="PL"></country>
</address>
</desc>
<listRelation><relation active="#struct-321110" type="direct"></relation>
</listRelation>
<tutelles><tutelle active="#struct-321110" type="direct"><org type="institution" xml:id="struct-321110" status="INCOMING"><orgName>Warsaw Univ Technol</orgName>
<desc><address><country key="FR"></country>
</address>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>Pologne</country>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">HAL</idno>
<idno type="RBID">Hal:hal-01267002</idno>
<idno type="halId">hal-01267002</idno>
<idno type="halUri">https://hal.univ-lorraine.fr/hal-01267002</idno>
<idno type="url">https://hal.univ-lorraine.fr/hal-01267002</idno>
<idno type="doi">10.1016/j.jct.2014.12.027</idno>
<date when="2015-06">2015-06</date>
<idno type="wicri:Area/Hal/Corpus">000482</idno>
<idno type="wicri:Area/Hal/Curation">000482</idno>
<idno type="wicri:Area/Hal/Checkpoint">000117</idno>
<idno type="wicri:explorRef" wicri:stream="Hal" wicri:step="Checkpoint">000117</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en">Experimental and theoretically study of interaction between organic compounds and tricyanomethanide based ionic liquids</title>
<author><name sortKey="Lukoshko, Elena" sort="Lukoshko, Elena" uniqKey="Lukoshko E" first="Elena" last="Lukoshko">Elena Lukoshko</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-102444" status="INCOMING"><orgName>Warsaw Univ Technol, Fac Chem</orgName>
<desc><address><addrLine>PL-00664 Warsaw</addrLine>
<country key="PL"></country>
</address>
</desc>
<listRelation><relation active="#struct-321110" type="direct"></relation>
</listRelation>
<tutelles><tutelle active="#struct-321110" type="direct"><org type="institution" xml:id="struct-321110" status="INCOMING"><orgName>Warsaw Univ Technol</orgName>
<desc><address><country key="FR"></country>
</address>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>Pologne</country>
</affiliation>
</author>
<author><name sortKey="Mutelet, Fabrice" sort="Mutelet, Fabrice" uniqKey="Mutelet F" first="Fabrice" last="Mutelet">Fabrice Mutelet</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-211875" status="VALID"><idno type="IdRef">153068876</idno>
<idno type="RNSR">201320573K</idno>
<idno type="IdUnivLorraine">[UL]RQC--</idno>
<orgName>Laboratoire Réactions et Génie des Procédés</orgName>
<orgName type="acronym">LRGP</orgName>
<date type="start">2013-01-01</date>
<desc><address><addrLine>Université de Lorraine - ENSIC, 1 rue de Grandville BP 20451, 54001 Nancy Cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://lrgp.univ-lorraine.fr/</ref>
</desc>
<listRelation><relation active="#struct-413289" type="direct"></relation>
<relation name="UMR7274" active="#struct-441569" type="direct"></relation>
</listRelation>
<tutelles><tutelle active="#struct-413289" type="direct"><org type="institution" xml:id="struct-413289" status="VALID"><idno type="IdRef">157040569</idno>
<idno type="IdUnivLorraine">[UL]100--</idno>
<orgName>Université de Lorraine</orgName>
<orgName type="acronym">UL</orgName>
<date type="start">2012-01-01</date>
<desc><address><addrLine>34 cours Léopold - CS 25233 - 54052 Nancy cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://www.univ-lorraine.fr/</ref>
</desc>
</org>
</tutelle>
<tutelle name="UMR7274" active="#struct-441569" type="direct"><org type="institution" xml:id="struct-441569" status="VALID"><idno type="ISNI">0000000122597504</idno>
<idno type="IdRef">02636817X</idno>
<orgName>Centre National de la Recherche Scientifique</orgName>
<orgName type="acronym">CNRS</orgName>
<date type="start">1939-10-19</date>
<desc><address><country key="FR"></country>
</address>
<ref type="url">http://www.cnrs.fr/</ref>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>France</country>
<placeName><settlement type="city">Nancy</settlement>
<settlement type="city">Metz</settlement>
<region type="region" nuts="2">Grand Est</region>
<region type="old region" nuts="2">Lorraine (région)</region>
</placeName>
<orgName type="university">Université de Lorraine</orgName>
</affiliation>
</author>
<author><name sortKey="Domanska, Urszula" sort="Domanska, Urszula" uniqKey="Domanska U" first="Urszula" last="Domanska">Urszula Domanska</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-102444" status="INCOMING"><orgName>Warsaw Univ Technol, Fac Chem</orgName>
<desc><address><addrLine>PL-00664 Warsaw</addrLine>
<country key="PL"></country>
</address>
</desc>
<listRelation><relation active="#struct-321110" type="direct"></relation>
</listRelation>
<tutelles><tutelle active="#struct-321110" type="direct"><org type="institution" xml:id="struct-321110" status="INCOMING"><orgName>Warsaw Univ Technol</orgName>
<desc><address><country key="FR"></country>
</address>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>Pologne</country>
</affiliation>
</author>
</analytic>
<idno type="DOI">10.1016/j.jct.2014.12.027</idno>
<series><title level="j">Journal of Chemical Thermodynamics</title>
<idno type="ISSN">0021-9614</idno>
<imprint><date type="datePub">2015-06</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass></textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">Activity coefficients at infinite dilution (gamma(infinity)(1,2)) for 35 solutes in two new tricyanomethanide containing Ionic Liquids were measured by inverse gas chromatography at temperatures from (318.15 to 368.15) K. Most organic compounds have stronger affinity with 1-butyl-4-methylpyridinium tricyanomethanide than 1-butyl-3-methylimidazolium tricyanomethanide. The retention data were further converted to gas-to-IL and analyzed using the Abraham solvation parameter model. The LSER treatment indicates that the most dominant interaction constants for this family of ILs are strong dipolarity, hydrogen bond basicity and acidity. Quantum chemical gas phase DFT calculations were performed on isolated ion pairs at the 6-311 ++ G(d,p) level basis. It was found that the stacking structure of cation and anion is compact in the [BMIM][TCM] system and relatively loose in the [BMPY][TCM] system allowing a facile restructuring of the ionic liquid [BMPY][TCM] in the process of organic compounds dissolution.</div>
</front>
</TEI>
<hal api="V3"><titleStmt><title xml:lang="en">Experimental and theoretically study of interaction between organic compounds and tricyanomethanide based ionic liquids</title>
<author role="aut"><persName><forename type="first">Elena</forename>
<surname>Lukoshko</surname>
</persName>
<email></email>
<idno type="halauthor">1285680</idno>
<affiliation ref="#struct-102444"></affiliation>
</author>
<author role="aut"><persName><forename type="first">Fabrice</forename>
<surname>Mutelet</surname>
</persName>
<email>fabrice.mutelet@univ-lorraine.fr</email>
<idno type="halauthor">806335</idno>
<affiliation ref="#struct-211875"></affiliation>
</author>
<author role="aut"><persName><forename type="first">Urszula</forename>
<surname>Domanska</surname>
</persName>
<email></email>
<idno type="halauthor">1285682</idno>
<affiliation ref="#struct-102444"></affiliation>
</author>
<editor role="depositor"><persName><forename>LRGP</forename>
<surname>UL</surname>
</persName>
<email>ddoc-appuirecherche-lrgp@univ-lorraine.fr</email>
</editor>
</titleStmt>
<editionStmt><edition n="v1" type="current"><date type="whenSubmitted">2016-02-03 16:41:15</date>
<date type="whenModified">2016-05-10 16:53:56</date>
<date type="whenReleased">2016-02-03 16:41:15</date>
<date type="whenProduced">2015-06</date>
</edition>
<respStmt><resp>contributor</resp>
<name key="329568"><persName><forename>LRGP</forename>
<surname>UL</surname>
</persName>
<email>ddoc-appuirecherche-lrgp@univ-lorraine.fr</email>
</name>
</respStmt>
</editionStmt>
<publicationStmt><distributor>CCSD</distributor>
<idno type="halId">hal-01267002</idno>
<idno type="halUri">https://hal.univ-lorraine.fr/hal-01267002</idno>
<idno type="halBibtex">lukoshko:hal-01267002</idno>
<idno type="halRefHtml">Journal of Chemical Thermodynamics, Elsevier, 2015, 85, pp.49-56. <10.1016/j.jct.2014.12.027></idno>
<idno type="halRef">Journal of Chemical Thermodynamics, Elsevier, 2015, 85, pp.49-56. <10.1016/j.jct.2014.12.027></idno>
</publicationStmt>
<seriesStmt><idno type="stamp" n="UNIV-LORRAINE">Université de Lorraine</idno>
<idno type="stamp" n="CNRS">CNRS - Centre national de la recherche scientifique</idno>
<idno type="stamp" n="LRGP-UL">LRGP</idno>
</seriesStmt>
<notesStmt><note type="audience" n="2">International</note>
<note type="popular" n="0">No</note>
<note type="peer" n="1">Yes</note>
</notesStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en">Experimental and theoretically study of interaction between organic compounds and tricyanomethanide based ionic liquids</title>
<author role="aut"><persName><forename type="first">Elena</forename>
<surname>Lukoshko</surname>
</persName>
<idno type="halAuthorId">1285680</idno>
<affiliation ref="#struct-102444"></affiliation>
</author>
<author role="aut"><persName><forename type="first">Fabrice</forename>
<surname>Mutelet</surname>
</persName>
<email>fabrice.mutelet@univ-lorraine.fr</email>
<idno type="halAuthorId">806335</idno>
<affiliation ref="#struct-211875"></affiliation>
</author>
<author role="aut"><persName><forename type="first">Urszula</forename>
<surname>Domanska</surname>
</persName>
<idno type="halAuthorId">1285682</idno>
<affiliation ref="#struct-102444"></affiliation>
</author>
</analytic>
<monogr><idno type="halJournalId" status="VALID">16570</idno>
<idno type="issn">0021-9614</idno>
<idno type="eissn">1096-3626</idno>
<title level="j">Journal of Chemical Thermodynamics</title>
<imprint><publisher>Elsevier</publisher>
<biblScope unit="volume">85</biblScope>
<biblScope unit="pp">49-56</biblScope>
<date type="datePub">2015-06</date>
</imprint>
</monogr>
<idno type="doi">10.1016/j.jct.2014.12.027</idno>
</biblStruct>
</sourceDesc>
<profileDesc><langUsage><language ident="en">English</language>
</langUsage>
<textClass><classCode scheme="halDomain" n="chim">Chemical Sciences</classCode>
<classCode scheme="halTypology" n="ART">Journal articles</classCode>
</textClass>
<abstract xml:lang="en">Activity coefficients at infinite dilution (gamma(infinity)(1,2)) for 35 solutes in two new tricyanomethanide containing Ionic Liquids were measured by inverse gas chromatography at temperatures from (318.15 to 368.15) K. Most organic compounds have stronger affinity with 1-butyl-4-methylpyridinium tricyanomethanide than 1-butyl-3-methylimidazolium tricyanomethanide. The retention data were further converted to gas-to-IL and analyzed using the Abraham solvation parameter model. The LSER treatment indicates that the most dominant interaction constants for this family of ILs are strong dipolarity, hydrogen bond basicity and acidity. Quantum chemical gas phase DFT calculations were performed on isolated ion pairs at the 6-311 ++ G(d,p) level basis. It was found that the stacking structure of cation and anion is compact in the [BMIM][TCM] system and relatively loose in the [BMPY][TCM] system allowing a facile restructuring of the ionic liquid [BMPY][TCM] in the process of organic compounds dissolution.</abstract>
</profileDesc>
</hal>
</record>

Pour manipuler ce document sous Unix (Dilib)

EXPLOR_STEP=$WICRI_ROOT/Wicri/Lorraine/explor/LrgpV1/Data/Hal/Checkpoint

HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000117 | SxmlIndent | more

HfdSelect -h $EXPLOR_AREA/Data/Hal/Checkpoint/biblio.hfd -nk 000117 | SxmlIndent | more

Pour mettre un lien sur cette page dans le réseau Wicri

{{Explor lien
   |wiki=    Wicri/Lorraine
   |area=    LrgpV1
   |flux=    Hal
   |étape=   Checkpoint
   |type=    RBID
   |clé=     Hal:hal-01267002
   |texte=   Experimental and theoretically study of interaction between organic compounds and tricyanomethanide based ionic liquids
}}

This area was generated with Dilib version V0.6.32.
Data generation: Sat Nov 11 15:47:48 2017. Site generation: Wed Mar 6 23:31:34 2024

	Serveur d'exploration sur le LRGP
	Attention, ce site est en cours de développement ! Attention, site généré par des moyens informatiques à partir de corpus bruts. Les informations ne sont donc pas validées.

Serveur d'exploration sur le LRGP

Experimental and theoretically study of interaction between organic compounds and tricyanomethanide based ionic liquids

Experimental and theoretically study of interaction between organic compounds and tricyanomethanide based ionic liquids

Source :

Abstract

Links toward previous steps (curation, corpus...)

Links to Exploration step

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri