Theoretical studies on the electronic structure, charge distribution and vibrational spectra of diglyme-M+-AsF6- (M = Li, Na, K)

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 71, Issue 3, 2008, Pages 1056-1062

  Pinjari, Rahul V ^a   Joshi, Kaustubh A ^a   Gejji, Shridhar P ^a  

^a UNIVERSITY OF PUNE   (India)

Author keywords

Density functional; Difference density; Molecular electron density topography; Vibrational spectra

Indexed keywords

CARRIER CONCENTRATION; COORDINATION REACTIONS; ELECTRON DENSITY MEASUREMENT; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTRONS; ENGINEERING GEOLOGY; EQUATIONS OF STATE; FLUORINE; FREQUENCY SHIFT KEYING; IONS; LATTICE VIBRATIONS; LIGHT METALS; LITHIUM; METAL IONS; METALS; MOLECULAR SPECTROSCOPY; NEGATIVE IONS; OXYGEN; VIBRATIONAL SPECTRA;

ANION BINDINGS; BOND CRITICAL POINTS; COORDINATE NUMBERS; DENSITY FUNCTIONAL; DIFFERENCE DENSITY; DIGLYME; ELECTRON DENSITIES; ELECTRON DENSITY MAPS; FLUORINE ATOMS; FREQUENCY DOWNSHIFTS; FREQUENCY SHIFTS; LITHIUM IONS; MAPPING FUNCTIONS; METAL ION COORDINATIONS; MOLECULAR ELECTRON DENSITIES; MOLECULAR ELECTRON DENSITY TOPOGRAPHY;

DENSITY FUNCTIONAL THEORY;

DIGLYME; ELECTROLYTE; ETHER DERIVATIVE; ETHYLENE GLYCOL DERIVATIVE; LITHIUM; ORGANOARSENIC DERIVATIVE; POTASSIUM; SODIUM;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRIC CONDUCTIVITY; ELECTROCHEMISTRY; SPECTROSCOPY;

ARSENICALS; ELECTRIC CONDUCTIVITY; ELECTROCHEMISTRY; ELECTROLYTES; ETHYLENE GLYCOLS; LITHIUM; METHYL ETHERS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; POTASSIUM; SODIUM; SPECTRUM ANALYSIS;

EID: 54049128130     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.02.047     Document Type: Article

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