Electronic structure and normal vibrations of the 1-ethyl-3- methylimidazolium ethyl sulfate ion pair

Journal of Physical Chemistry A

Volumn 115, Issue 15, 2011, Pages 3551-3558

  Dhumal, Nilesh R ^a   Kim, Hyung J ^a,b   Kiefer, Johannes ^c,d  

^a CARNEGIE MELLON UNIVERSITY   (United States)

^b Korea Institute for Advanced Study   (South Korea)

^c UNIVERSITY OF ABERDEEN   (United Kingdom)

^d UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY-FUNCTIONAL METHODS; ELECTRON DENSITIES; ELECTRONIC AND STRUCTURAL PROPERTIES; ETHYL SULFATE; FREQUENCY SHIFT; ION PAIRS; ION-PAIR COMPLEXES; IR AND RAMAN SPECTROSCOPY; LOW-LYING SINGLETS; MOLECULAR ELECTRON DENSITY TOPOGRAPHY; NBO ANALYSIS; NORMAL VIBRATIONS; STABLE CONFORMERS;

CARRIER CONCENTRATION; ELECTRIC EXCITATION; ELECTRON DENSITY MEASUREMENT; ELECTRONIC STRUCTURE; POSITIVE IONS; RAMAN SPECTROSCOPY; VIBRATION ANALYSIS;

DENSITY FUNCTIONAL THEORY;

1 ETHYL 3 METHYLIMIDAZOLIUM; 1-ETHYL-3-METHYLIMIDAZOLIUM; IMIDAZOLE DERIVATIVE; ION;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; QUANTUM THEORY; VIBRATION;

ELECTRONS; IMIDAZOLES; IONS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTUM THEORY; VIBRATION;

EID: 79954568281     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1122322     Document Type: Article

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