Density functional studies of influences of Ni triad metals and solvents on oxidative addition of MeI to [M(CH3)2(NH 3)2] complexes and C-C reductive elimination from [M(CH3)3(NH3)2I] complexes

Journal of Organometallic Chemistry

Volumn 696, Issue 21, 2011, Pages 3351-3358

  Niroomand Hosseini, Fatemeh ^a   Ariafard, Alireza ^b   Rashidi, Mehdi ^c   Azimi, Gholamhassan ^d   Nabavizadeh, S Masoud ^c  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c SHIRAZ UNIVERSITY   (Iran)

^d ARAK UNIVERSITY   (Iran)

Author keywords

DFT calculation; Ni triad metals; Oxidative addition; Reductive elimination

Indexed keywords

ACTIVATION BARRIERS; DENSITY-FUNCTIONAL STUDY; DFT CALCULATION; IODIDE ANIONS; ION PAIRS; LINEAR ARRANGEMENTS; METAL CENTRES; METHYL GROUP; METHYL IODIDE; NUCLEOPHILICITIES; OXIDATIVE ADDITION REACTION; OXIDATIVE ADDITIONS; POLAR SOLVENTS; REDUCTIVE ELIMINATION; SOLVATION EFFECT; SQUARE PLANAR COMPLEX; SYSTEMATIC VARIATION; TRANSITION STATE;

ACETONITRILE; BENZENE; DENSITY FUNCTIONAL THEORY; ETHANE; FUNCTIONAL GROUPS; METALS; ORGANIC SOLVENTS; PALLADIUM; PALLADIUM COMPOUNDS; PLATINUM; PLATINUM COMPOUNDS; SOLVATION; SOLVENTS;

ADDITION REACTIONS;

EID: 80052519321     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2011.07.024     Document Type: Article

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