A tetrameric allyl complex of sodium, and computational modeling of the 23Na-allyl chemical shift

Inorganica Chimica Acta

Volumn 364, Issue 1, 2010, Pages 61-68

  McMillen, C Heather ^a   Gren, Cameron K ^a   Hanusa, Timothy P ^a   Rheingold, Arnold L ^b  

^a VANDERBILT UNIVERSITY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Allyl ligands; Density functional theory calculations; Nuclear magnetic resonance; Sodium; X ray crystal structure

Indexed keywords

CHEMICAL SHIFT; COMPUTATION THEORY; CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; LIGANDS; NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY; SODIUM;

ALLYL LIGANDS; COMPUTATIONAL MODEL; CYCLOPENTADIENYLS; DENSITY FUNCTIONAL THEORY METHODS; GAUGE-INCLUDING ATOMIC ORBITALS; OPTIMIZED STRUCTURES; TRANSMETALLATION; X RAY CRYSTAL STRUCTURES;

SODIUM COMPOUNDS;

EID: 78649758539     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2010.07.079     Document Type: Conference Paper

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