Detail of "155371-19-0"

Reference

Application of Density Functional Theory and Vibrational Spectroscopy Toward the Rational Design of Ionic Liquids

All Rights Reserved. Application of Density Functional Theory and Vibrational Spectroscopy Toward the Rational Design of Ionic Liquids. Katsyuba, Sergey A.Several substances are used for example 155371-19-0 which is its cas registry number.; Zvereva, Elena E.; Vidis, Ana; Dyson, Paul J. (A. E. Arbuzov Institute of Organic and Physical Chemistry, Kazan Scientific Centre, Russian Academy of Sciences, Kazan 420088, Russia). Journal of Physical Chemistry A, 111(2), 352-370 (English) 2007 American Chemical Society. CODEN: JPCAFH. ISSN: 1089-5639. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) D. functional theory methods in combination with vibrational spectroscopy are used to investigate possible variants of mol. structure of the ion pairs of several imidazolium-based ionic liqs. (ILs). Multiple stable structures are detd. with the anion positioned (a) near to the C2 atom of the imidazolium ring, (b) between N1 and C5, (c) between N3 and C4, and (d) between C4 and C5. Chloride and bromide anions in vacuum also occupy positions above or below the imidazolium ring, but in the condensed state these positions are destabilized. In comparison with the halides that almost equally occupy the positions (a-d), tetrafluoroborate and hexafluorophosphate anions strongly prefer position (a). The position and the type of the anion influence the conformation of the side chains bound to the imidazolium N1 atom, which are able to adopt in vacuum all usual staggered or eclipsed conformations, although in the liq. state some of the conformations are present only as minor forms if at all. Vibrations of the cations depend both on the conformational changes and on the assocn. with the anion. The formation of the ion pairs influences mainly stretching and out-of-plane vibrations of the imidazolium C-H groups and stretching vibrations of the perfluoroanions. Other modes of the ions retain their individuality and practically do not mix. This allows "interionic" vibrations to be sepd. and to regard the couple of the ions as an anharmonic oscillator. Such a model correlates the mol. structure of various ILs and their m.ps. without involving the energy of the interaction between the cations and anions but explains structure-m.p. correlations on the grounds of quasi-elastic properties. .

Composite polymer electrolyte containing room temperature melting salt

Composite polymer electrolyte containing room temperature melting salt. Seung, Do Yeong; Sun, Hui Yeong (Samsung SDI Co., Ltd., S. Korea).Chemicals with cas numbers 25322-68-3 and 155371-19-0 also play role. Repub. Korean Kongkae Taeho Kongbo KR 2002019221 A 12 Mar 2002, No pp. given (Korean). (Korea, Republic Of). CODEN: KRXXA7. CLASS: ICM: H01M010-40. APPLICATION: KR 2000-52373 5 Sep 2000. DOCUMENT TYPE: Patent CA Section: 52 (Electrochemical, Radiational, and Thermal Energy Technology) Section cross-reference(s): 27, 38 A composite polymer electrolyte, its prepn. method and a lithium secondary battery employing the electrolyte are provided to improve the ion cond. and the mech. properties and to reduce the interface resistance. The polymer electrolyte comprises a lithium salt, a room temp. melting salt as a supporting electrolyte of the lithium salt, and a polymer. Preferably the cationic component of the room temp. melting salt is 1-ethyl-3-methylimidazolium of the formula 1 or imidazolium tetrafluoroborate; the anionic component I-, BF4-, ClO4-, CF3SO3-, AsF6-, PF6-, N(CF3SO2)2-, C(CF3SO2)3-, N(C2F5SO2)2- or C4F9SO3-; the lithium salt is selected from the group consisting of LiI, LiBF4, LiClO4, LiCF3SO3, LIAsF6, LiPF6, LiN(CF3SO2)2, LiC(CF3SO2)3, LiN(C2F5SO2)2 and LiC4F9SO3; and the polymer is selected from the group consisting of poly(ethylene oxide), noncryst. poly(ethylene oxide), poly(propylene oxide) and poly(vinyl pyrrolidone). Optionally the polymer electrolyte comprises further a ferroelec. material selected from the group consisting of PbTiO3, BaTiO3 and LiNbO3. .