Ring inversion in 4-hydroxy-1-methylpiperidine betaine studied by X-ray, FTIR, 13C CP MAS NMR and DFT calculations

Journal of Molecular Structure

Volumn 917, Issue 2-3, 2009, Pages 76-83

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

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

4 Hydroxy 1 methylpiperidine betaines; 13C CP MAS NMR; Conformation; DFT calculations; Ring inversion; X ray diffraction

Indexed keywords

DENSITY FUNCTIONAL THEORY; DIFFRACTION; FOURIER TRANSFORM INFRARED SPECTROSCOPY; HYDROGEN; HYDROGEN BONDS; MOLECULES; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS; X RAY ANALYSIS; X RAY DIFFRACTION; X RAY DIFFRACTION ANALYSIS;

4-HYDROXY-1-METHYLPIPERIDINE BETAINES; 13C CP MAS NMR; ASYMMETRIC UNITS; AXIAL POSITIONS; CHAIR CONFORMATIONS; CONFORMATIONAL EQUILIBRIUMS; DFT CALCULATIONS; EQUATORIAL POSITIONS; FTIR SPECTRUMS; HYDROXYL GROUPS; MONOCLINIC SYSTEMS; OPTIMIZED STRUCTURES; RESONANCE SIGNALS; RING INVERSION; SPACE GROUPS; UNIT CELLS; ZIGZAG CHAINS;

CONFORMATIONS;

EID: 58149178886     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.06.032     Document Type: Article

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