DFT calculations of NMR JC-H coupling constants: An additional tool to characterize the α-agostic interaction in high oxidation state M-alkylidene complexes (M = Re, Mo and Ta)

Polyhedron

Volumn 25, Issue 2, 2006, Pages 339-348

  Solans Monfort, Xavier ^a   Eisenstein, Odile ^a  

^a CNRS   (France)

Author keywords

Alkylidene complexes; DFT; GIAO; IGLO; Mo; NMR spin spin JC H coupling constant; Re; Ta; Transition metal complexes; Agostic interactions

Indexed keywords

ELECTRONIC PROPERTIES; METAL COMPLEXES; MOLYBDENUM COMPOUNDS; RHENIUM COMPOUNDS; SOLVENTS; TANTALUM COMPOUNDS; TRANSITION METALS;

AGOSTIC INTERACTIONS; ALKYLIDENE COMPLEXES; C-H COUPLING CONSTANT; DFT; GIAO; IGLO; MO; NMR SPIN-SPIN JC-H COUPLING CONSTANT; RE; SPIN-SPIN; TA; TRANSITION-METAL COMPLEX; Α-AGOSTIC INTERACTION;

LIGANDS;

EID: 30144441180     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2005.08.015     Document Type: Article

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