Journal ArticleDOI
Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta.
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TLDR
The balance of weak CH...N bonds involving the H 3C- and -CN groups has been related to the structural rearrangement between centrosymmetric and polar acetonitrile structures.Abstract:
The balance of weak CH···N bonds involving the H3C− and −C≡N groups has been related to the structural rearrangement between centrosymmetric and polar acetonitrile structures. The linear highly polar molecules arrange antiparallel in phase α below a freezing temperature of 225 K/0.1 MPa and above a freezing pressure of 0.38(5) GPa/296 K and in a polar mode in phase β below 206 K/0.1 MPa and at pressures higher than 0.63(5) GPa/296 K. The α ↔ β phase transition has been considered as a supramolecular reaction between 2-dimensional and 3-dimensional hydrogen-bonding networks, the latter favoring the polar association. Acetonitrile has been in situ pressure-frozen, and its structure has been determined at room temperature by single-crystal X-ray diffraction at 0.57(5), 0.63(5), and 1.50(5)GPa. The crystallization pressure at 296 K has been determined as 0.38(5) GPa both by ruby fluorescence in a diamond anvil-cell and by the compressibility measurement in a cylinder-and-piston device. Acetonitrile mixed with...read more
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Electrolyte Solvation and Ionic Association II. Acetonitrile-Lithium Salt Mixtures: Highly Dissociated Salts
TL;DR: In this article, the electrolyte solution structure for acetonitrile (AN)-lithium salt mixtures has been examined for highly dissociated salts, and phase diagrams are reported for (AN)n-LiN(SO2CF3)2 (LiTFSI) and -LiPF6 electrolytes.
Journal ArticleDOI
Electrolyte Solvation and Ionic Association
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Electrolyte Solvation and Ionic Association V. Acetonitrile-Lithium Bis(fluorosulfonyl)imide (LiFSI) Mixtures
Sang-Don Han,Oleg Borodin,Daniel M. Seo,Zhi-Bin Zhou,Wesley A. Henderson,Wesley A. Henderson +5 more
TL;DR: In this article, the authors evaluated the performance of electrolytes with the salt lithium bis(fluorosulfonyl)imide (LiFSI) compared to comparable electrolyte with other lithium salts.
Journal ArticleDOI
Lighting Up the Invisible Twisted Intramolecular Charge Transfer State by High Pressure.
Hui Li,Jianhui Han,Huifang Zhao,Xiaochun Liu,Yi Luo,Ying Shi,Cailong Liu,Mingxing Jin,Dajun Ding +8 more
TL;DR: A new facile pressure-induced approach to light up the TICT state through the use of a pressure-related liquid-solid phase transition of the surrounding solvent is introduced and reveals that the "invisible" TICTState can emit fluorescence when the rotation of a donor group is restricted by the frozen acetonitrile solution.
Journal ArticleDOI
Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure
Francesca P. A. Fabbiani,Birger Dittrich,Alastair J. Florence,Thomas Gelbrich,Michael B. Hursthouse,Werner F. Kuhs,Norman Shankland,Heidrun Sowa +7 more
TL;DR: In this article, the first reported examples of ciprofloxacin chelating a Group IA monovalent cation were obtained using the XPac method, and the structures were described and compared using XPac.
References
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Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions
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Graph-set analysis of hydrogen-bond patterns in organic crystals
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