Three hydrogen-bonded complexes of trigonelline with squaric acid: Crystallographic, spectroscopic and theoretical studies

Journal of Molecular Structure

Volumn 1007, Issue , 2012, Pages 113-121

  Dega Szafran, Z ^a   Dutkiewicz, G ^a   Kosturkiewicz, Z ^a   Szafran, M ^a  

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

DFT calculations; Hydrogen bonds; Spectroscopic methods; Squaric acid; Trigonelline; X ray diffraction

Indexed keywords

ASYMMETRIC UNIT; B3LYP/6-31G; DFT CALCULATION; FT-IR SPECTRUM; FTIR AND NMR SPECTROSCOPY; HYDROGEN-BONDED COMPLEXES; SPACE GROUPS; SPECTROSCOPIC METHOD; SQUARIC ACIDS; THEORETICAL STUDY; TRICLINIC SPACE GROUP; TRIGONELLINE; WATER MOLECULE;

COMPLEXATION; DENSITY FUNCTIONAL THEORY; ETHANOL; HYDRATES; MOLECULES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTONS; SINGLE CRYSTALS; SPECTROSCOPIC ANALYSIS; STOICHIOMETRY; X RAY DIFFRACTION;

HYDROGEN BONDS;

EID: 84155164908     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2011.10.030     Document Type: Article

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