Structural, spectroscopic and theoretical studies of the 1:1 complex of N-methylpiperidine betaine with squaric acid

Journal of Molecular Structure

Volumn 1015, Issue , 2012, Pages 86-93

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

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

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

Indexed keywords

B3LYP/6-31G; CHAIR CONFORMATIONS; DFT CALCULATION; EQUATORIAL POSITIONS; FTIR AND NMR SPECTROSCOPY; IR FREQUENCIES; METHYL GROUP; N-METHYLPIPERIDINE BETAINE; OPTIMIZED STRUCTURES; SINGLE CRYSTAL X-RAY ANALYSIS; SPACE GROUPS; SQUARIC ACIDS; THEORETICAL STUDY;

DENSITY FUNCTIONAL THEORY; FUNCTIONAL GROUPS; HYDROGEN BONDS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; X RAY DIFFRACTION;

COMPLEXATION;

EID: 84859905481     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2012.02.019     Document Type: Article

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