Spectroscopic investigation of intermolecular interactions in a sodium thiocyanate-water system

Bortnuchik, A. L.; Stepukhovich, A.D.; Rabinovich, I. S.

doi:10.1007/bf00606861

Cited by 3 publications

(3 citation statements)

References 4 publications

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“…For the monatomic chloride, no other vibration was detected except the signal in the region around 100 cm –1 . For SCN, the three bands at 460, 730, and 1960 cm –1 were slightly below the experimentally observed signals of solid sodium thiocyanate at wavenumbers of 497, 755, and 2075 cm –1 . Similarly, the signals of DCA were found at lower wavenumbers compared to solid sodium dicyanamide, for instance 2110 cm –1 instead of 2230 cm –1 or 625 cm –1 instead of 664 cm –1 .…”

Section: Resultsmentioning

confidence: 57%

“…For SCN, the three bands at 460, 730, and 1960 cm −1 were slightly below the experimentally observed signals of solid sodium thiocyanate at wavenumbers of 497, 755, and 2075 cm −1 . 81 Similarly, the signals of DCA were found at lower wavenumbers compared to solid sodium dicyanamide, 82 for instance 2110 cm −1 instead of 2230 cm −1 or 625 cm −1 instead of 664 cm −1 . Apart from these shifts, all signals of the DCA anion were present in the power spectra.…”

Section: Resultsmentioning

confidence: 92%

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Short Time Dynamics of Ionic Liquids in AIMD-Based Power Spectra

Wendler

Brehm

Malberg

et al. 2012

J. Chem. Theory Comput.

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Power spectra of several imidazolium-based ionic liquids, 1,3-dimethylimidazolium chloride, 1-ethyl-3-methylimidazolium thiocyanate, 1-ethyl-3-methylimidazolium dicyanamide 5, 1-butyl-3-methylimidazolium chloride, 1-butyl-3-methylimidazolium thiocyanate, and 1-butyl-3-methylimidazolium dicyanamide, are presented based on ab initio molecular dynamics simulations. They provide an alternative tool of analysis of several electronic structure-based properties, in particular, those related to the strength of hydrogen bonding in liquids. Moreover, they can be employed to interpret experimental IR or Raman spectra, avoiding the additional calculations required for theoretical IR or Raman spectra. The obtained power spectra are shown to be in good agreement with experimental spectra, and electronic structure properties related to them are analyzed. Further, there are indications for a locality of the power spectra on a relatively short time scale of ≈10 ps or system size of about 8 ion pairs as already speculated in previous work.

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Section: Resultsmentioning

confidence: 57%

Section: Resultsmentioning

confidence: 92%

Short Time Dynamics of Ionic Liquids in AIMD-Based Power Spectra

Wendler

Brehm

Malberg

et al. 2012

J. Chem. Theory Comput.

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“…6 Frequency dependencies of the mechanical loss factor of GO/PAN1 spinning solutions with temperatures ranging from 30 to 60 °C Mechanisms. The mechanism of rheological behaviors of PAN in NaSCN aqueous solution had been rarely studied [21,23]. However, the presence of GO in concentrated PAN solution complicated the situation since no elucidated dissolved state for PAN in NaSCN aqueous solutions was proposed.…”

Section: Resultsmentioning

confidence: 99%

Rheological Behaviors of Graphene Oxide/Polyacrylonitrile Spinning Solutions

Zheng

Wang

2017

MSF

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The rheological behaviors of polyacrylonitrile (PAN) in NaSCN aqueous solutions containing different amount of Graphene oxide (GO) were investigated through both steady-state and dynamic rheological measurements. The parameters such as apparent viscosity (ηα), flow activation energy (Eη), structural viscosity index (Δη), storage modulus (G’), loss modulus (G’’) and mechanical loss factor (tanδ) were measured to illustrate the rheological behaviors of these solutions. The results showed that the apparent viscosity decreased with adding appropriate amount of GO, while the structural viscosity index, the flow activation energy and the mechanical loss factor of GO/PAN spinning solutions increased. Accordingly, a possible mechanism of GO effect on rheological behaviors of PAN solution was proposed in this work.

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Unusual viscosity behavior of polyacrylonitrile in NaSCN aqueous solutions

Qiu

2015

Polymer

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Spectroscopic investigation of intermolecular interactions in a sodium thiocyanate-water system

Cited by 3 publications

References 4 publications

Short Time Dynamics of Ionic Liquids in AIMD-Based Power Spectra

Short Time Dynamics of Ionic Liquids in AIMD-Based Power Spectra

Rheological Behaviors of Graphene Oxide/Polyacrylonitrile Spinning Solutions

Unusual viscosity behavior of polyacrylonitrile in NaSCN aqueous solutions

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