Theoretical study of31P NMR chemical shifts for organophosphorus esters, their anions and O,O-dimethylthiophosphorate anion with metal complexes

Bulletin of the Korean Chemical Society

Volumn 29, Issue 11, 2008, Pages 2252-2258

  In, Sun Koo ^a,b   Ali, Dildar ^a   Yang, Kiyull ^b   Park, Yong ^a   Wardlaw, David M ^c   Buncel, Erwin ^a  

^a QUEEN S UNIVERSITY   (Canada)

^b Gyeongsang National University   (South Korea)

^c UNIVERSITY OF WESTERN ONTARIO   (Canada)

Author keywords

31P NMR chemical shift; d p bond back donation; Density functional theory (DFT); Diamagnetic and paramagnetic tensor

Indexed keywords

CHEMICAL SHIFT; ESTERS; MERCURY (METAL); METAL COMPLEXES; METAL IONS; METALS; NEGATIVE IONS; PARAMAGNETISM; QUANTUM CHEMISTRY; TENSORS;

AB INITIO; AB INITIO AND DFT; BACK DONATION; D ORBITALS; GAUGE-INCLUDING ATOMIC ORBITALS; NMR CHEMICAL SHIFTS; PARAMAGNETIC TENSORS; THEORETICAL STUDY;

DENSITY FUNCTIONAL THEORY;

EID: 57349179189     PISSN: 02532964     EISSN: 12295949     Source Type: Journal    
DOI: 10.5012/bkcs.2008.29.11.2252     Document Type: Article

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