The title salt, (C(24)H(20)P)(2)[Zn(C(2)F(3)NO(2)S(3))(2)], consists of a complex dianion and two tetra-phenyl-phospho-nium cations. The Zn(II) ion displays a distorted tetra-hedral coordination environment with four S atoms from two S,S'-chelated N-(trifluoro-methyl-sulfonyl-)dithio-carbimate anions. In the crystal, besides the ionic inter-action of the oppositely charged ions, inter-molecular C-H⋯O inter-actions between cations and anions are observed. One of the cations inter-acts with an inversion-related equivalent by π-π stacking between phenyl rings, with a centroid-centroid distance of 3.932 (4) Å.
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http://dx.doi.org/10.1107/S160053681105207X | DOI Listing |
Spectrochim Acta A Mol Biomol Spectrosc
January 2016
Center for Molecular and Materials Sciences, Sansom Institute, University of South Australia, Adelaide, SA 5000, Australia. Electronic address:
The ion pair structures of a novel CO2 capture material in the form of a metal chelate anion-containing room temperature ionic liquid (IL), 1-ethyl-3-methylimidazolium tri[bis(trifluoromethylsulfonyl)imide]zincate(II), [Emim][Zn(TFSI)3], were elucidated by correlating the infrared spectra generated using density functional theory (DFT) calculations with the experimental spectrum derived from a room temperature infrared spectroscopic measurement. A free volume energy minimization algorithm revealed stable structures where the zinc ion forms an octahedral, homoleptic complex with the ligand bis(trifluoromethylsulfonyl)imide through coordination with the oxygen of the sulfone group, with 1-ethyl-3-methylimidazolium acting as the counterion. The method of analysis was built around 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [Emim][TFSI], involving direct comparison with published data, and extended to the more complex [Emim][Zn(TFSI)3] system.
View Article and Find Full Text PDFActa Crystallogr Sect E Struct Rep Online
January 2012
The title salt, (C(24)H(20)P)(2)[Zn(C(2)F(3)NO(2)S(3))(2)], consists of a complex dianion and two tetra-phenyl-phospho-nium cations. The Zn(II) ion displays a distorted tetra-hedral coordination environment with four S atoms from two S,S'-chelated N-(trifluoro-methyl-sulfonyl-)dithio-carbimate anions. In the crystal, besides the ionic inter-action of the oppositely charged ions, inter-molecular C-H⋯O inter-actions between cations and anions are observed.
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