Centrosymmetric dimer of quinuclidine betaine and squaric acid complex

Journal of Molecular Structure

Volumn 1030, Issue , 2012, Pages 184-190

  Dega Szafran, Z ^a   Katrusiak, A ^a   Szafran, M ^a  

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

DFT calculations; FTIR and NMR spectroscopies; Hydrogen bonds; Quinuclidine betaine; Squaric acid; X ray diffraction

Indexed keywords

B3LYP/6-311++G; CENTROSYMMETRIC DIMERS; DFT CALCULATION; FT-IR SPECTRUM; FTIR AND NMR SPECTROSCOPY; ISOTROPIC SHIELDING; MOLECULAR AGGREGATE; MONOCLINIC SPACE GROUPS; NMR SPECTRUM; OPTIMIZED STRUCTURES; QUINUCLIDINES; SINGLE CRYSTAL X-RAY ANALYSIS; SQUARIC ACIDS;

COMPLEXATION; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; MONOMERS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OPTIMIZATION; SINGLE CRYSTALS; X RAY DIFFRACTION;

DIMERS;

EID: 84870238914     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2012.04.028     Document Type: Article

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