Vibrational spectroscopy of silver perchlorate and silver trifluoromethanesulfonate solutions in acrylonitrile

Alía, J. M.; Edwards, Howell G. M.; Díaz-de-Mera, Yolanda; Lawson, E.E.

doi:10.1007/bf02767603

Cited by 9 publications

(4 citation statements)

References 47 publications

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“…For example, I 2276 / I 2253 in the infrared spectra is nearly 4 times as high as that in Raman spectra at the salt concentration of 2.21 mol kg -1 . Similar results have been reported in the study of the vibrational spectra of acrylonitrile in LiCF 3 SO 3 and AgNO 3 16 solutions. The reason for this lies in the different behaviors of the IR absorption coefficient and Raman scattering factor.…”

Section: Resultssupporting

confidence: 89%

Vibrational Spectroscopic and Density Functional Studies on Ion Solvation and Association of Lithium Tetrafluorobrate in Acetonitrile

et al. 2004

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Vibrational spectroscopic studies have been carried out on solutions of LiBF 4 in acetonitrile as a function of concentrations of lithium salt. Great changes in the vibrational characteristics of CtN and C-C stretches were observed as a result of solvation. The solvation numbers of Li + determined from spectroscopic data are found to decrease from 3.2 to 1.4 with increasing concentration of the lithium salt. It is expected that the solvation number is 4 in the infinite diluted solution. Solvation structures of the lithium ion were suggested by density functional theory and the results were compared with the spectroscopic data. Changes of the ν 1 mode of BF 4 -with concentration of the salt were also analyzed, and the bands at 763, 771, and 780 cm -1 indicate the coexisting of free ion, contact ion pairs, and dimers. The structures of ion pairs in gas phase and in acetonitrile solutions were suggested on the basis of DFT calculations.

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Section: Resultssupporting

confidence: 89%

Vibrational Spectroscopic and Density Functional Studies on Ion Solvation and Association of Lithium Tetrafluorobrate in Acetonitrile

et al. 2004

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“…The B a / B f ratio was equal to 2.91. This factor was higher than those reported for acrylonitrile with lithium triflate17 but quite identical to what was found for a nitrile‐functional group with silver perchlorate or triflate ( B a / B f = 2.7) 19…”

Section: Resultssupporting

confidence: 81%

Block polymethacrylonitrile copolymers based on a central polyether or polyacetal block: A study of the salt/copolymer complexes

Saunier

Alloin

2005

J Polym Sci B Polym Phys

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International audienceSome block copolymers based on polymethacrylonitrile (PMAN) and polyethers or polyacetals were synthesized in an anionic way. To appreciate the salt/polymer interactions, polymer electrolytes were prepared by the dissolution of lithium imide or lithium perchlorate in PMAN homopolymer and copolymers. The investigation of the triblock copolymer complexes allowed the solvating competition between nitrile- and ether- or acetal-functional groups to be highlighted. The polydioxolane solvating ability was equivalent to that of PMAN but lower than that of polyoxyethylene or polyoxypropylene. Moreover, we were interested in the salt effect as block compatibilization was concerned

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“…To gain some information about the number of components and its corresponding wavenumbers, a statistical PCA was undertaken. PCA is a useful tool that allows one to identify the number of components in a complex envelope band − and has proven to be successful in the analysis of complicated vibrational bands. ,− The statistical analysis was done for spectra of acrylonitrile solutions in CCl 4 at 13 different concentrations (see Table ), with 146 experimental intensity points per spectrum. This corresponds to the 2190−2267 cm -1 Raman spectral region where the ν(C⋮N) band appears.…”

Section: Resultsmentioning

confidence: 99%

“…The combination of CH 2 deformation and C−C stretching bands (ν 6 and ν 9 in acrylonitrile) appears at 2281.3 cm -1 , far enough from the ν(C⋮N) fundamental (2229.6 cm -1 ), so that it does not enter into resonance . We have published a series of studies on electrolyte solutions in acrylonitrile using vibrational spectroscopy, − and its behavior is similar to that observed in acetonitrile and other nitriles such as benzonitrile , or propionitrile. − …”

Section: Introductionmentioning

confidence: 89%

An Experimental Raman and Theoretical DFT Study on the Self-Association of Acrylonitrile

et al. 2007

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The liquid structure of acrylonitrile (propenenitrile) has been investigated using Raman spectroscopy and density functional theory (DFT) ab initio calculations with the 6-311++G** basis set. Two different and complementary experimental approaches were undertaken: FT-Raman spectra of 13 acrylonitrile solutions in carbon tetrachloride (concentration range=0.25-12.0 mol.L-1) were studied in detail including principal component analysis (PCA) of the CN stretching band. Furthermore, dispersive Raman spectra of neat acrylonitrile were obtained at eight different temperatures from 238 up to 343 K. The complex and asymmetric acrylonitrile Raman CN stretching band can be decomposed into two components attributed to monomeric and self-associated forms. Ab initio results fully support this assignment and suggest that the self-associated complex is a nonplanar trimer held together by dipole-dipole interactions. At ambient temperature, the composition of acrylonitrile can be expressed as a mixture of 25% monomers and 75% trimers. Close to the boiling point, trimers still represent 65% of the liquid composition. The corresponding enthalpy of association was estimated to be -22+/-2 kJ.mol-1.

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Vibrational spectroscopy of silver perchlorate and silver trifluoromethanesulfonate solutions in acrylonitrile

Cited by 9 publications

References 47 publications

Vibrational Spectroscopic and Density Functional Studies on Ion Solvation and Association of Lithium Tetrafluorobrate in Acetonitrile

Vibrational Spectroscopic and Density Functional Studies on Ion Solvation and Association of Lithium Tetrafluorobrate in Acetonitrile

Block polymethacrylonitrile copolymers based on a central polyether or polyacetal block: A study of the salt/copolymer complexes

An Experimental Raman and Theoretical DFT Study on the Self-Association of Acrylonitrile

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