Structural studies on aryl-substituted enaminoketones and their thio analogues. Part I. Analysis of high-resolution 1H, 13C NMR and 13C CP MAS spectra combined with GIAO-DFT calculations

Magnetic Resonance in Chemistry

Volumn 47, Issue 10, 2009, Pages 830-842

  Bugaj, Marta ^a   Baran, Piotr A ^b   Bernatowicz, Piotr ^a   Broz̊ek, Patrycja ^c   Kamieńska Trela, Krystyna ^a   Krówczyński, Adam ^a   Kamieński, Bohdan ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Poland)

^b INDUSTRIAL CHEMISTRY RESEARCH INSTITUTE   (Poland)

^c UNIVERSITY OF WARSAW   (Poland)

Author keywords

13C CP MAS spectra; 13C NMR shielding constants; Enaminoketones; Enaminothioketones; GIAO DFT calculations; H, H and C, H spin spin vicinal coupling constants; High resolution 1Hand 13C NMR spectra

Indexed keywords

ATOMS; HYDROGEN; HYDROGEN BONDS; ISOMERS; MAGIC ANGLE SPINNING; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; SHIELDING; SOLID SOLUTIONS;

13C CROSS POLARIZATION MAGIC ANGLE SPINNING SPECTRUM; 13C NMR SHIELDING CONSTANT; CROSS POLARIZATION MAGIC-ANGLE SPINNINGS; CROSS-POLARIZATION/MAGIC ANGLE SPINNINGS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; ENAMINOKETONES; ENAMINOTHIOKETONE; GAUGE INCLUDING ATOMIC ORBITAL-DENSITY FUNCTIONAL THEORY CALCULATION; GAUGE-INCLUDING ATOMIC ORBITALS; H, H AND C, H SPIN-SPIN VICINAL COUPLING CONSTANT; HIGH RESOLUTION; HIGH-RESOLUTION 1HAND 13C NMR SPECTRUM; MAGIC ANGLE SPINNING SPECTRUM; NMR SHIELDING; NMR SPECTRUM; ORBITAL DENSITIES; SHIELDING CONSTANTS; SPIN-SPIN; VICINAL COUPLING CONSTANTS;

DENSITY FUNCTIONAL THEORY;

EID: 70349449440     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2477     Document Type: Article

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