In-silico exploration of noble gas dimer enforced by noncovalent interaction

Density functional calculations have been carried out to investigate the possibility of trapping of noble gas dimers by cyclo[18]carbon dimer. Parallel-displaced conformation of the cyclo[18]carbon dimer is found to be the minimum energy structure. Noncovalent interaction is found to hold the noble gas dimers. The lighter noble gases (He, Ne) posses weaker attractive interactions while the heavier one (Ar, Kr) are held by stronger attractive interactions forming genuine bonds. Each of the noble gas atoms in turn forms noncovalent interaction with the cyclo[18]carbon monomers. The bond dissociation energy of the noble gas dimers dramatically increases inside the cyclo[18]carbon dimer. Energy decomposition analysis reveals that dispersion plays the major role toward the stabilization energy.     

Generalized Second Law of Thermodynamics on the Event Horizon for Interacting Dark Energy

Here we are trying to find the conditions for the validity of the generalized second law of thermodynamics (GSLT) assuming the first law of thermodynamics on the event horizon in both cases when the FRW universe is filled with interacting two fluid system- one in the form of cold dark matter and the other is either holographic dark energy or new age graphic dark energy.     

Stimuli-Responsive Macromolecular Architecture by Butler Cyclopolymerizations: Synthesis and Applications

This article reviews the synthesis of polyzwitterions (PZs) (poly-carboxybetaines, -phosphonobetaines, and -sulfobetaines) having multiple pH-responsive centers. The synthesis follows the Butler cyclopolymerization protocol involving a multitude of diallylammonium salts and their copolymerization with SO₂ and maleic acid. The PZs have been transformed into cationic-, anionic-polyelectrolytes, and polyampholytes under the influence of pH. Particular attention is given to the application of these polymers as antiscalants, mild steel corrosion inhibitors, components in constructing Aqueous Two-Phase Systems (ATPSs), and membrane modifiers. The ATPSs could be used to separate various biomolecules, including proteins. Many amphiphilic polymers incorporating a few mol % hydrophobic monomers have shown enhanced viscosities and could be suitable for applications in oil fields. The progress of applying Butler cyclopolymerization in reversible addition-fragmentation chain transfer (RAFT) chemistry has been discussed. Future works are expected to focus on RAFT cyclopolymerization to construct block copolymers.     

Efficient AcFc-[FeIII(acac)3] Redox Couple for Non-aqueous Redox Flow Battery at Low Temperature

The temperature dependency of the electrochemical analysis of acetyl ferrocene (AcFc) and iron(III) acetylacetonate ([Fe(acac)₃]) has been investigated for non-aqueous redox flow batteries (NARFBs). AcFc and [Fe(acac)₃] were utilized as catholyte and anolyte species, respectively, in an electrochemical cell with a cell voltage of 1.41 V and Coulombic efficiencies >99% for up to 50 total cycles at room temperature (RT, 25 °C). Experiments with a rotating ring disk electrode (RRDE) indicate that the diffusion coefficient reduces with decreasing temperature from 25 °C to 0 °C, yet the overall storage capacity was higher than that of an aqueous redox flow battery (ARFBs). The electrochemical kinetic rate constant (k₀) of AcFc was found to be greater than that of [Fe(acac)₃]. However, the value of k₀ was not affected by the variable temperature. ¹H NMR investigations reveal that temperature change during battery trials did not occur in any structural modification. The obtained result demonstrates the suitability of this battery at low temperatures.