Ab initio calculations, Raman and NMR investigation of the plastic crystal di-methyl pyrrolidinium iodide

Adebahr, Josephina; Johansson, Patrik; Jacobsson, Per; MacFarlane, Douglas R.; Forsyth, Maria

doi:10.1016/s0013-4686(03)00216-0

Cited by 20 publications

(10 citation statements)

References 18 publications

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“…This correlates well with highly mobile Na + ions in an ionic liquid. S2 † based on previous investigations 17,[48][49][50][51][52][53][54] The vibrational modes, dominated by the [NTf 2 ] À anion, are observed in Raman/IR spectra (278-798 cm À1 /400-790 cm À1 ) respectively. The vibrational modes above 880 cm À1 are mostly due to the cation [C 2 mpyr] + .…”

Section: Nmr Spectroscopymentioning

confidence: 84%

Structure and dynamics in an organic ionic plastic crystal, N-ethyl-N-methyl pyrrolidinium bis(trifluoromethanesulfonyl) amide, mixed with a sodium salt

et al. 2014

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Section: Nmr Spectroscopymentioning

confidence: 84%

Structure and dynamics in an organic ionic plastic crystal, N-ethyl-N-methyl pyrrolidinium bis(trifluoromethanesulfonyl) amide, mixed with a sodium salt

et al. 2014

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“…2) and the results reported for liquid pyrrolidine [14,15] and different alkylpyrrolidinium salts [16,17]. The identification of the vibrations of the [CF 3 SO 3 ] − group in Pyr 14 TFMS was done on the basis of data for CF 3 SO 3 H [18], LiCF 3 SO 3 in acetonitrile [19] and CF 3 SO 2 OSiH 3 [20].…”

Section: Ftir Spectroscopic Studiesmentioning

confidence: 99%

Spectroscopy and Electrochemistry of Tantalum(V) in 1-Butyl-1-methylpyrrolidinium Trifluoromethanesulfonate

Babushkina

Ekres

Nauer

2008

Zeitschrift Für Naturforschung A

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FTIR spectroscopic and electrochemical characterizations of tantalum(V) in 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate (Pyr 14 TFMS)-TaCl 5 ionic liquids are performed with 5, 15, and 35 mol% TaCl 5 as the media for potential electrochemical application. On the basis of FTIR spectra the electrochemical active species are identified as follows: [ TaOCl 4 ] − , [TaOCl 5 ] 2− , [TaCl 5 F] − , and [TaCl 5 F 2 ] 2− . The dominant species are the oxochloride complexes of tantalum(V).Cyclic voltammograms of Pyr 14 TFMS-TaCl 5 mixtures at 80 • C exhibit three reduction peaks: at −0.8 V, −0.9 V, and −2.4 V. The first reduction peak corresponds to the reduction of the oxochloride species of tantalum(V), the second is assigned to the reduction of the mixed chloride-fluoride species of tantalum(V), and the third peak to the further reduction of tantalum.The spectroscopic data confirm the suggestion that oxochloride complexes of tantalum(V) become the dominant species in ionic liquids with the oxygen-containing functional group [CF 3 SO 3 ] − , possibly restricting the process of tantalum metal deposition from these ionic liquids.

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“…For example, iodide salts are commonly solid at room temperature, exhibit fewer phase transitions and have a higher melting point than salts utilising anions with a more diffuse charge, such as PF 6 , BF 4 or bis(trifluoromethanesulfonyl)amide (NTf 2 ), while increasing the length of the alkyl chain substituent can have a strong influence on the melting point and phase behaviour of the material. 6,15,21 Combination of the N-alkyl-N-methyl-pyrrolidinium cation with the tetrafluoroborate anion yields a promising family of organic ionic plastic crystals. [22][23][24] The methyl, ethyl and propyl-substituted salts are all plastic crystals, while the butyl-substituted species is solid at room temperature but is not plastic.…”

Section: Introductionmentioning

confidence: 99%

Unusual phase behaviour of the organic ionic plastic crystal N,N-dimethylpyrrolidinium tetrafluoroborate

Pringle

Adebahr

MacFarlane

et al. 2010

Phys. Chem. Chem. Phys.

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Analysis of N,N-dimethylpyrrolidinium tetrafluoroborate by (1)H and (11)B NMR, Raman spectroscopy and powder XRD shows that this organic ionic plastic crystal material exhibits unusual phase behaviour. (1)H NMR analysis indicates that the mobility of the pyrrolidinium cation decreases when the material is heated into phase I, while the X-ray diffraction pattern changes from a simple, one peak structure in phase II to a more complex pattern in phase I. The possible origins of these unusual transitions are discussed.

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Ab initio calculations, Raman and NMR investigation of the plastic crystal di-methyl pyrrolidinium iodide

Cited by 20 publications

References 18 publications

Structure and dynamics in an organic ionic plastic crystal, N-ethyl-N-methyl pyrrolidinium bis(trifluoromethanesulfonyl) amide, mixed with a sodium salt

Structure and dynamics in an organic ionic plastic crystal, N-ethyl-N-methyl pyrrolidinium bis(trifluoromethanesulfonyl) amide, mixed with a sodium salt

Spectroscopy and Electrochemistry of Tantalum(V) in 1-Butyl-1-methylpyrrolidinium Trifluoromethanesulfonate

Unusual phase behaviour of the organic ionic plastic crystal N,N-dimethylpyrrolidinium tetrafluoroborate

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