Ionic clathrate hydrates are water-based materials that have unique properties, such as a wide range of melting temperatures and high gas capacities. In their structure, water molecules coordinate around ionic substances, which is regarded as the actual hydration structure and also linking of the hydrate clusters, giving insight into the dynamics of the water molecules and ions. This paper reports the synthesis and characterization of the ionic clathrate hydrate of tetra-n-butylammonium lactate (TBAL), the anion of which is a biological organic material. Phase equilibrium measurements and optical observations of the crystal morphology and crystal structure analysis were performed. The TBAL hydrate has a melting temperature of 284.8 K suitable for cool energy storage applications. The actual hydration patterns around a lactate anion are shown in the form of ionic clathrate hydrate structure.
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http://dx.doi.org/10.1039/c4cp03444a | DOI Listing |
RSC Adv
June 2024
Department of Physics & Astronomy, Texas Tech University Lubbock Texas 79409-1051 USA.
The role of noncovalent bonding, including multiatomic interactions (van der Waals-like forces) and ionic characteristics, in the intermetallic clathrate A Si (A = Na, K, Rb; 0 < ≤ 24) is qualitatively discussed. Using the local density approximation (LDA) to density functional theory (DFT), we investigated the effect of different guest filling and pressure parameters on the structural and electronic properties of these materials. In the context of the rigid-band model, we first noted that the competition between van der Waals-like multiatomic interactions and ionicity due to the extent of charge transfer responsible for guest-framework complexes accounts for the nonmonotonic structural response upon guest filling in A Si (0 ≤ ≤ 8), which is in good agreement with previous experimental findings as well as theoretical predictions.
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May 2024
Department of Inorganic Chemistry, Physical Chemistry and Electrochemistry, Faculty of Chemical Engineering and Biotechnologies, National University of Science and Technology Politehnica of Bucharest, 1-7 Gh. Polizu Street, 011061 Bucharest, Romania.
Two new cyanido-bridged {FeM} double chains were obtained by reacting cyanido anions [M(CN)] with complex cations [Fe(tptz)] (preformed by mixing a hydrated tetrafluoroborate salt of iron(II) and a tptz ligand, tptz = 2,4,6-tri(2-pyridyl)-1,3,5-triazine) having the general formula [Fe(tptz)M(CN)]·2HO·CHCN, where M = Pd (1) or Pt (2). Additionally, two molecular complexes formulated as [Fe(tptz)][M(CN)]·4.25HO, where M = Pd (3) or Pt (4), were subsequently obtained from the same reaction, as secondary products.
View Article and Find Full Text PDFPhys Chem Chem Phys
March 2024
Institute of High Pressure Physics, School of Physical Science and Technology, Ningbo University, Ningbo, 315211, People's Republic of China.
The recent discovery of high-temperature superconductivity in compressed hydrides has reignited the long-standing quest for room-temperature superconductors. However, the synthesis of superconducting hydrides under moderate pressure and the identification of crucial factors that affect their stability remain challenges. Here, we predicted the ternary clathrate phases of LaThH with potential superconductivity under high pressures and specifically proposed a novel 3̄-LaThH phase exhibiting a remarkable of 54.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2024
National Metrology Institute of Japan (NMIJ), National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba Central 5, 1-1-1 Higashi, Tsukuba, 305-8565, Japan.
The ability to tune the pore size, shape, and functionality of semiclathrate hydrates, host-guest materials formed from aqueous solutions of ionic guest materials and water, makes them attractive materials for thermal storage and gas storage applications. The flexibility of semi-clathrate hydrates and their guest-molecule-dependent reactions produce these unexpected and desirable properties. As an ionic guest, tetra--butylammonium cation is known for best-fit in hydrogen-bonded water structures.
View Article and Find Full Text PDFJ Phys Chem B
December 2023
CAS Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing 100190, China.
When a molar excess of benzene is mixed with an ionic liquid (IL), liquid-liquid phase separation may appear with a pure liquid phase almost composed of only benzene molecules separated from a liquid clathrate phase with benzene molecules dissolved in the IL. Our previous study (J. Phys.
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