Molecular interactions in methylimidazolium tetrafluoroborate ionic liquid ([Mim+][BF4-]): Structures, binding energies, topological properties and NMR one- and two bonds spin-spin coupling constants

Journal of Molecular Liquids

Volumn 161, Issue 2, 2011, Pages 63-71

  Roohi, Hossein ^a   Salehi, Roya ^b  

^a UNIVERSITY OF GUILAN   (Iran)

^b UNIVERSITY OF SISTAN AND BALUCHESTAN   (Iran)

Author keywords

H bonding, electron density; Methylimidazolium tetrafluoroborate; NMR

Indexed keywords

ABSOLUTE VALUES; AROMATICITIES; BASIS SETS; BOND CRITICAL POINTS; C-H BOND; H-BONDING, ELECTRON DENSITY; INTERMOLECULAR HYDROGEN BONDS; ION PAIRS; NBO ANALYSIS; NUCLEUS-INDEPENDENT CHEMICAL SHIFTS; PREFERENTIAL BINDING; SPIN-SPIN COUPLING CONSTANTS; TETRAFLUOROBORATES; TOPOLOGICAL PROPERTIES;

ACTIVE NETWORKS; BINDING SITES; CARRIER CONCENTRATION; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRON DENSITY MEASUREMENT; ELECTRONS; HYDROGEN BONDS; ION EXCHANGE; IONIC LIQUIDS; IONS; MOLECULAR INTERACTIONS; MOLECULAR STRUCTURE; POTENTIAL ENERGY; QUANTUM CHEMISTRY; TOPOLOGY;

BINDING ENERGY;

EID: 79958098011     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2011.04.006     Document Type: Article

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