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Orientational Ordering of Ionic Liquids near a Charged Mica Surface
Author(s) -
Singh Payal Rajdeep,
Balasubramanian Sundaram
Publication year - 2012
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201100871
Subject(s) - ionic liquid , mica , adsorption , chemistry , chemical physics , ion , molecular dynamics , imide , perpendicular , hydrocarbon , analytical chemistry (journal) , computational chemistry , organic chemistry , materials science , catalysis , geometry , mathematics , composite material
The self‐assembly of ions in room‐temperature ionic liquids adsorbed on a mica surface is studied using molecular dynamics simulations. Four liquids from the 1‐methyl, n ‐alkylimidazolium bis(trifluoromethylsulfonyl)imide ([C n mim][NTf 2 ]) family are investigated, where n ranges between 2 and 8. Cations with ethyl or butyl groups are found to orient with the hydrocarbon tails lying parallel to the surface, while the hexyl and octyl tails of cations are observed to be oriented perpendicular to it. The crossover in the orientational preference matches recent observations of surface forces of these liquids.