Phosphorus magnetic shielding tensors for transition-metal compounds containing phosphine, phosphido, and phosphinidene ligands: Insights from computational chemistry

Canadian Journal of Chemistry

Volumn 82, Issue 1, 2004, Pages 27-44

  Feindel, Kirk W ^a   Wasylishen, Roderick E ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

Author keywords

31P chemical shift; B3LYP; Phosphido; Phosphine; Phosphinidene; Relativistic; RHF; ZORA DFT

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; COMPUTATIONAL METHODS; IRON; MATHEMATICAL MODELS; PHOSPHORUS COMPOUNDS; PROBABILITY DENSITY FUNCTION; TENSORS;

CHEMICAL SHIFTS; DENSITY FUNCTIONAL THEORY (DFT);

TRANSITION METALS;

CHLORINE; IRON; LIGAND; METAL COMPLEX; OXYGEN; PHOSPHINE DERIVATIVE; PHOSPHOROUS ACID; PHOSPHORUS 31; TRANSITION ELEMENT; TUNGSTEN;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; COMPARATIVE STUDY; EXPERIMENT; MAGNETISM; POLARIZATION; PROTON NUCLEAR MAGNETIC RESONANCE; THEORY;

EID: 1342289479     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v03-176     Document Type: Article

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