期刊
JOURNAL OF CHEMICAL PHYSICS
卷 139, 期 22, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4838475
关键词
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资金
- U.S. Department of Energy (DOE) [DE-FG02-06ER15800]
- U.S. Air Force [FA9550-13-1-0007]
- National Science Foundation (NSF) American Competitiveness in Chemistry Fellowship [CHE-1137404]
- U.S. Department of Defense through a National Defense Science and Engineering Graduate Fellowship (NDSEG)
- National Science Foundation [CNS 0821132]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1137404] Funding Source: National Science Foundation
To clarify the intramolecular distortions exhibited by the complementary ions in the archetypal ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate [EMIM][BF4], we report the vibrational spectra of the isolated ionic constituents and small aggregates cooled to about 10 K. Deuteration of bare EMIM+ at the C-(2) position, the putative hydrogen bond donating group, establishes that the observed bulk red shift is too small (<10 cm(-1)) for hydrogen bonding to be a dominant structural feature. We then analyze how the vibrational patterns evolve with increasing size to identify the spectral signatures of well-defined structural motifs in the growing assembly. Surprisingly, the main features of the bulk spectrum are already developed in the cluster with a single BF4- anion sandwiched between just two EMIM+ cations. We suggest that this local motif, while not strongly hydrogen bonded, nonetheless induces considerable intensity in the C-(2) H stretches and is a robust feature in the local molecular structure of the liquid. (C) 2013 AIP Publishing LLC.
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