The observed and calculated 1H and 13C chemical shifts of tertiary amines and their N-oxides

Magnetic Resonance in Chemistry

Volumn 49, Issue 6, 2011, Pages 320-327

  Pohl, Radek ^a   Dračínský, Martin ^a   Slavětínská, Lenka ^a   Budesinsky, Miloš ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

calculated chemical shifts; DFT; HF; in situ oxidation of tertiary amines; MP2; NMR

Indexed keywords

AMINES; CHEMICAL SHIFT; COMPUTATION THEORY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXIDATION; QUANTUM CHEMISTRY; STEREOCHEMISTRY;

AMINE N-OXIDES; CALCULATED CHEMICAL SHIFT; DENSITY-FUNCTIONAL-THEORY; HARTREE-FOCK; IN SITU OXIDATION OF TERTIARY AMINE; IN-SITU OXIDATION; MP2; N-OXIDES; NMR TUBES; TERTIARY AMINE;

DENSITY FUNCTIONAL THEORY;

AMINE; CARBON; OXIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POROSITY; STANDARD; STEREOISOMERISM;

AMINES; CARBON ISOTOPES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; OXIDES; POROSITY; REFERENCE STANDARDS; STEREOISOMERISM;

EID: 79955914958     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2750     Document Type: Article

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