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三氟甲磺酸与三氟甲磺酸1-乙基-3-甲基咪唑鎓在溶液中的氢键和离子-离子相互作用。

Hydrogen-bonding and ion-ion interactions in solutions of triflic acid and 1-ethyl-3-methylimidazolium triflate.

作者信息

Burba Christopher M, Rocher Nathalie M, Frech Roger

机构信息

Department of Natural Sciences, Northeastern State University, Tahlequah, Oklahoma 74464-2302, USA.

出版信息

J Phys Chem B. 2009 Aug 20;113(33):11453-8. doi: 10.1021/jp902276b.

DOI:10.1021/jp902276b
PMID:19637847
Abstract

Ion-ion and hydrogen-bonding interactions in solutions of 1-ethyl-3-methylimidazolium trifluoromethansulfonate ([C(2)mim]Tf) and triflic acid (HTf) are investigated with infrared and Raman spectroscopy. Bands indicative of highly aggregated triflate anions appear in the vibrational spectra of solutions containing a large fraction of triflic acid. These species most likely consist of triflate anions that are at least threefold coordinated by positive ions (i.e., {C(2)mimH(y)Tf}(x+y-1) where x + y > or = 3). Such coordination environments would be consistent with a larger, extended aggregate of Tf(-), C(2)mim, and H(+) ions that may be charged or neutral. Evidence for hydrogen bonding between the protons and the oxygen atoms of the triflate atoms and between the hydrogen atoms of the C(2)mim and triflate anion is identified in the infrared and Raman spectra.

摘要

采用红外光谱和拉曼光谱研究了1-乙基-3-甲基咪唑三氟甲磺酸盐([C(2)mim]Tf)和三氟甲磺酸(HTf)溶液中的离子-离子相互作用和氢键相互作用。在含有大量三氟甲磺酸的溶液的振动光谱中出现了表明三氟甲磺酸根阴离子高度聚集的谱带。这些物种很可能由至少与正离子三重配位的三氟甲磺酸根阴离子组成(即{C(2)mimH(y)Tf}(x+y-1),其中x + y≥3)。这样的配位环境与可能带电荷或呈中性的更大、更扩展的Tf(-)、C(2)mim和H(+)离子聚集体相一致。在红外光谱和拉曼光谱中确定了质子与三氟甲磺酸根原子的氧原子之间以及C(2)mim的氢原子与三氟甲磺酸根阴离子之间存在氢键的证据。

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