Premium
Intrinsic Electric Fields in Ionic Liquids Determined by Vibrational Stark Effect Spectroscopy and Molecular Dynamics Simulation
Author(s) -
Zhang Shiguo,
Shi Rui,
Ma Xiangyuan,
Lu Liujin,
He Yude,
Zhang Xiaohu,
Wang Yanting,
Deng Youquan
Publication year - 2012
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201201257
Subject(s) - ionic liquid , molecular dynamics , chemical physics , ion , electric field , alkyl , spectroscopy , ionic bonding , chemistry , dynamics (music) , materials science , analytical chemistry (journal) , computational chemistry , physics , organic chemistry , quantum mechanics , acoustics , catalysis
The electric fields of ionic liquids are only slightly higher than those of common molecular solvents, and are strongly structure‐dependent; they noticeably decrease with anion size because of increased separation of ions, and slightly decrease as the alkyl chain elongates due to increasing spatial heterogeneity. These were the key results of vibrational Stark effect spectroscopy and molecular dynamics simulations.