Probing the acid-base equilibrium in acid-benzimidazole complexes by 1H NMR spectra and density functional theory calculations

Journal of Physical Chemistry B

Volumn 114, Issue 38, 2010, Pages 12234-12241

  Zhang, Dongfang ^a   Yan, Liuming ^a  

^a SHANGHAI UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ACETIC ACID; CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; HYDROCHLORIC ACID; METAL ANALYSIS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PH EFFECTS; PHOSPHORIC ACID; PROTONS;

ACID-BASE EQUILIBRIA; ACIDIC PROTON; BENZIMIDAZOLES; DENSITY FUNCTIONAL THEORY CALCULATIONS; EXPLICIT SOLVENTS; FT-IR SPECTRUM; GASPHASE; H NMR SPECTRA; METHYLSULFONIC ACID; NMR CHEMICAL SHIFTS; OPTIMIZED STRUCTURES; PHENYLPHOSPHONIC ACIDS; POLARIZABLE CONTINUUM MODEL; POTENTIAL PROFILES; VIBRATIONAL FREQUENCIES; WELL STRUCTURE;

SULFURIC ACID;

EID: 77957135218     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1054606     Document Type: Article

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