What does an ionic liquid surface really look like? Unprecedented details from molecular simulations

Gyoergy Hantal; M. Natalia D. S. Cordeiro; Miguel Jorge

doi:10.1039/c1cp22639h

What does an ionic liquid surface really look like? Unprecedented details from molecular simulations

Gyoergy Hantal, M. Natalia D. S. Cordeiro, Miguel Jorge

Chemical And Process Engineering

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Abstract

We present the first intrinsic analysis of the surface of the [bmim][PF6] room-temperature ionic liquid. Our detailed analysis reveals unprecedented details about the structure of the interface by providing the relative prevalence of different molecular orientations. These results suggest that experimental data should be reinterpreted considering a distribution of molecular arrangements.

Original language	English
Pages (from-to)	21230-21232
Number of pages	3
Journal	Physical Chemistry Chemical Physics
Volume	13
Issue number	48
Early online date	13 Oct 2011
DOIs	https://doi.org/10.1039/c1cp22639h
Publication status	Published - 2011

Keywords

ionic liquid surface
molecular simulations
intrinsic analysis
room-temperature ionic liquid

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10.1039/c1cp22639h

Hantal-etal-PCCP2011-what-does-an-ionic-liquid-surface-really-look-likeAccepted author manuscript, 736 KB

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title = "What does an ionic liquid surface really look like? Unprecedented details from molecular simulations",

abstract = "We present the first intrinsic analysis of the surface of the [bmim][PF6] room-temperature ionic liquid. Our detailed analysis reveals unprecedented details about the structure of the interface by providing the relative prevalence of different molecular orientations. These results suggest that experimental data should be reinterpreted considering a distribution of molecular arrangements.",

keywords = "ionic liquid surface , molecular simulations, intrinsic analysis , room-temperature ionic liquid",

author = "Gyoergy Hantal and Cordeiro, {M. Natalia D. S.} and Miguel Jorge",

year = "2011",

doi = "10.1039/c1cp22639h",

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T1 - What does an ionic liquid surface really look like? Unprecedented details from molecular simulations

AU - Hantal, Gyoergy

AU - Cordeiro, M. Natalia D. S.

AU - Jorge, Miguel

PY - 2011

Y1 - 2011

N2 - We present the first intrinsic analysis of the surface of the [bmim][PF6] room-temperature ionic liquid. Our detailed analysis reveals unprecedented details about the structure of the interface by providing the relative prevalence of different molecular orientations. These results suggest that experimental data should be reinterpreted considering a distribution of molecular arrangements.

AB - We present the first intrinsic analysis of the surface of the [bmim][PF6] room-temperature ionic liquid. Our detailed analysis reveals unprecedented details about the structure of the interface by providing the relative prevalence of different molecular orientations. These results suggest that experimental data should be reinterpreted considering a distribution of molecular arrangements.

KW - ionic liquid surface

KW - molecular simulations

KW - intrinsic analysis

KW - room-temperature ionic liquid

UR - http://pubs.rsc.org/en/journals/journalissues/cp

U2 - 10.1039/c1cp22639h

DO - 10.1039/c1cp22639h

M3 - Article

SN - 1463-9076

VL - 13

SP - 21230

EP - 21232

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 48

ER -

What does an ionic liquid surface really look like? Unprecedented details from molecular simulations

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