NMR spectroscopy in environmental chemistry: 1H and 13C NMR chemical shift assignments of chlorinated dibenzothiophenes based on two-dimensional NMR techniques and ab initio MO and DFT/GIAO calculations

Magnetic Resonance in Chemistry

Volumn 37, Issue 10, 1999, Pages 743-747

  Kolehmainen, Erkki ^a   Koivisto, Jari ^a   Nikiforov, Vladimir ^b   Peräkylä, Mikael ^c   Tuppurainen, Kari ^c   Laihia, Katri ^a   Kauppinen, Reijo ^a   Miltsov, Sergei A ^b   Karavan, Vladimir S ^b  

^a UNIVERSITY OF JYVÄSKYLÄ   (Finland)

^b ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^c UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

1H and 13C NMR parameters; 1H,13C HMQC and HMBC; Ab initio MO and DFT GIAO shifts; Chlorinated dibenzothiophenes

Indexed keywords

CHEMICAL SHIFT; INVERSE PROBLEMS;

1H AND 13C NMR PARAMETER; 1H,13C HMQC AND HMBC; AB INITIO MO; AB INITIO MO AND DFT/GIAO SHIFT; CHEMICAL SHIFT ASSIGNMENT; CHLORINATED DIBENZOTHIOPHENE; DFT/GIAO; DIBENZOTHIOPHENES; NMR CHEMICAL SHIFTS; NMR-SPECTROSCOPY;

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

EID: 0033212034     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-458x(199910)37:10<743::aid-mrc532>3.0.co;2-z     Document Type: Article

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