Measurement of Δ1J(199Hg, 31P) in [HgPCy3(OAc)2]2 and relativistic ZORA DFT investigations of mercury-phosphorus coupling tensors

Solid State Nuclear Magnetic Resonance

Volumn 36, Issue 4, 2009, Pages 182-191

  Bryce, David L ^a   Courchesne, Noémie Manuelle Dorval ^a   Perras, Frédéric A ^a  

^a UNIVERSITY OF OTTAWA   (Canada)

Author keywords

31P NMR; Coupling anisotropy; Indirect nuclear spin spin coupling tensors; J coupling; Line shape simulation; Mercury 199; Nuclear magnetic resonance; ZORA DFT calculations

Indexed keywords

31P NMR; DFT CALCULATION; INDIRECT NUCLEAR SPIN-SPIN COUPLING TENSORS; J COUPLING; LINE SHAPE; MERCURY-199; NMR COUPLING; NUCLEAR SPINS;

ANISOTROPY; DENSITY FUNCTIONAL THEORY; MAGNETIC PROPERTIES; MERCURY (METAL); NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHOSPHORUS; PROBABILITY DENSITY FUNCTION; RESONANCE; SPECTRUM ANALYSIS; SPECTRUM ANALYZERS; SULFUR COMPOUNDS; TENSORS;

SPIN DYNAMICS;

ORGANOMERCURY COMPOUND; PHOSPHORUS;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; REPRODUCIBILITY;

MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; ORGANOMERCURY COMPOUNDS; PHOSPHORUS; QUANTUM THEORY; REPRODUCIBILITY OF RESULTS;

EID: 75149166995     PISSN: 09262040     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssnmr.2009.11.004     Document Type: Article

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