Dialkylimidazolium chloroaluminates: Ab initio calculations, Raman and neutron scattering measurements

Conference · Thu Apr 01 04:00:00 EST 1993

OSTI ID:10155341

Takahasi, S ^[1]; Curtiss, L A; Gosztola, D; Koura, N ^[2]; Loong, C K; Saboungi, M L ^[3]

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1. Nisshin Steel Co. Ltd., Tokyo (Japan)
2. Science Univ. of Tokyo (Japan)
3. Argonne National Lab., IL (United States). Materials Science Div.

The Raman and neutron scattering spectra of 46 mol% AlCl{sub 3} -54 mol% 1-ethyl-3-methyl imidazolium chloride (EMIC) and 67 mol% AlCl{sub 3} - 33 mol% EMIC melts are presented. Ab initio molecular orbital calculations have been carried out on structures of chloroaluminate anion and EMI cation and the interaction between anion and cation.

• Research Organization: Argonne National Lab., IL (United States). Materials Science Div.
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 10155341
• Report Number(s): ANL/MSD/CP--77829; CONF-930571--11; ON: DE93012941
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201
ALUMINIUM CHLORIDES
BINARY MIXTURES
CHEMICAL AND PHYSICOCHEMICAL PROPERTIES
COMPLEXES
IMIDAZOLES
MOLECULAR ORBITAL METHOD
MOLTEN SALTS
NEUTRON DIFFRACTION
ORGANIC NITROGEN COMPOUNDS
RAMAN SPECTRA
STRUCTURAL CHEMICAL ANALYSIS
VIBRATIONAL STATES