Using 129Xe NMR to probe the structure of ionic liquids

Pedro Morgado; Karina Shimizu; José M. S. S. Esperança; Patrícia M. Reis; Luís P. N. Rebelo; José N. Canongia Lopes; Eduardo J. M. Filipe

doi:10.1021/jz401279u

Using ¹²⁹Xe NMR to probe the structure of ionic liquids

Pedro Morgado, Karina Shimizu, José M. S. S. Esperança, Patrícia M. Reis, Luís P. N. Rebelo, José N. Canongia Lopes, Eduardo J. M. Filipe

Instituto de Tecnologia Química e Biológica António Xavier (ITQB)

Research output: Contribution to journal › Article › peer-review

32 Citations (Scopus)

Abstract

The mesoscopic structure of 30 distinct ionic liquids was probed by ¹²⁹Xe NMR spectroscopy. The interpretation of the experimental data was complemented using molecular dynamics results. The results clearly show that xenon can effectively probe the various environments characteristic of different ionic liquids (ILs) and is thus able to distinguish between distinct ionic liquid families, including different types of interactions with diverse types of anion/polar networks. A finer analysis of the NMR data also confirmed that the xenon probes can also provide information on how the complex structure of an IL evolves along a homologous series.

Original language	English
Pages (from-to)	2758-2762
Number of pages	5
Journal	Journal of Physical Chemistry Letters
Volume	4
Issue number	16
DOIs	https://doi.org/10.1021/jz401279u
Publication status	Published - 15 Aug 2013

Keywords

ionic liquids
molecular dynamics
spectroscopy
Xe NMR

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10.1021/jz401279u

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@article{e85265e90da64889842748b86b84bbba,

title = "Using 129Xe NMR to probe the structure of ionic liquids",

abstract = "The mesoscopic structure of 30 distinct ionic liquids was probed by 129Xe NMR spectroscopy. The interpretation of the experimental data was complemented using molecular dynamics results. The results clearly show that xenon can effectively probe the various environments characteristic of different ionic liquids (ILs) and is thus able to distinguish between distinct ionic liquid families, including different types of interactions with diverse types of anion/polar networks. A finer analysis of the NMR data also confirmed that the xenon probes can also provide information on how the complex structure of an IL evolves along a homologous series.",

keywords = "ionic liquids, molecular dynamics, spectroscopy, Xe NMR",

author = "Pedro Morgado and Karina Shimizu and Esperan{\c c}a, {Jos{\'e} M. S. S.} and Reis, {Patr{\'i}cia M.} and Rebelo, {Lu{\'i}s P. N.} and {Canongia Lopes}, {Jos{\'e} N.} and Filipe, {Eduardo J. M.}",

note = "Financial support was provided by Fundacao para a Ciencia e Tecnologia (FCT) through Projects PTDC/CTM-NAN/121274/2010, FCT-ANR/CTM-NAN/0135/2012, Pest-OE/QUI/UI0100/2013, and Pest-OE/EQB/LA0004/2011. The National NMR Network (REDE/1517/RMN/2005) was supported by POCI 2010 and FCT. P.M., and K.S. acknowledge Postdoc Grants SFRH/BPD/81748/2011 and SFRH/BPD/38339/2007 also from FCT.",

year = "2013",

month = aug,

day = "15",

doi = "10.1021/jz401279u",

language = "English",

volume = "4",

pages = "2758--2762",

journal = "Journal of Physical Chemistry Letters",

issn = "1948-7185",

publisher = "ACS - American Chemical Society",

number = "16",

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TY - JOUR

T1 - Using 129Xe NMR to probe the structure of ionic liquids

AU - Morgado, Pedro

AU - Shimizu, Karina

AU - Esperança, José M. S. S.

AU - Reis, Patrícia M.

AU - Rebelo, Luís P. N.

AU - Canongia Lopes, José N.

AU - Filipe, Eduardo J. M.

N1 - Financial support was provided by Fundacao para a Ciencia e Tecnologia (FCT) through Projects PTDC/CTM-NAN/121274/2010, FCT-ANR/CTM-NAN/0135/2012, Pest-OE/QUI/UI0100/2013, and Pest-OE/EQB/LA0004/2011. The National NMR Network (REDE/1517/RMN/2005) was supported by POCI 2010 and FCT. P.M., and K.S. acknowledge Postdoc Grants SFRH/BPD/81748/2011 and SFRH/BPD/38339/2007 also from FCT.

PY - 2013/8/15

Y1 - 2013/8/15

N2 - The mesoscopic structure of 30 distinct ionic liquids was probed by 129Xe NMR spectroscopy. The interpretation of the experimental data was complemented using molecular dynamics results. The results clearly show that xenon can effectively probe the various environments characteristic of different ionic liquids (ILs) and is thus able to distinguish between distinct ionic liquid families, including different types of interactions with diverse types of anion/polar networks. A finer analysis of the NMR data also confirmed that the xenon probes can also provide information on how the complex structure of an IL evolves along a homologous series.

AB - The mesoscopic structure of 30 distinct ionic liquids was probed by 129Xe NMR spectroscopy. The interpretation of the experimental data was complemented using molecular dynamics results. The results clearly show that xenon can effectively probe the various environments characteristic of different ionic liquids (ILs) and is thus able to distinguish between distinct ionic liquid families, including different types of interactions with diverse types of anion/polar networks. A finer analysis of the NMR data also confirmed that the xenon probes can also provide information on how the complex structure of an IL evolves along a homologous series.

KW - ionic liquids

KW - molecular dynamics

KW - spectroscopy

KW - Xe NMR

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U2 - 10.1021/jz401279u

DO - 10.1021/jz401279u

M3 - Article

AN - SCOPUS:84882402200

SN - 1948-7185

VL - 4

SP - 2758

EP - 2762

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

IS - 16

ER -

Using ¹²⁹Xe NMR to probe the structure of ionic liquids

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Keywords

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