Evidence for Associative Ligand Exchange Processes on Solvated Lithium Cations

Evidence for Associative Ligand Exchange Processes on Solvated Lithium Cations

The ligand exchange mechanism of solvated lithium cations has been studied using DFT calculations (RB3LYP/6-311+G**). The water exchange mechanism on [Li(H2O)4]+ was found to be limiting associative (A) involving a five-coordinate intermediate, whereas ammonia exchange on [Li(NH3)4]+ was found to fo...

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Veröffentlicht in:Inorganic chemistry 2004-12, Vol.43 (26), p.8227-8229
Hauptverfasser: Puchta, Ralph, Galle, Michael, van Eikema Hommes, Nico, Pasgreta, Ewa, van Eldik, Rudi
Format: Artikel
Sprache:eng
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Zusammenfassung:The ligand exchange mechanism of solvated lithium cations has been studied using DFT calculations (RB3LYP/6-311+G**). The water exchange mechanism on [Li(H2O)4]+ was found to be limiting associative (A) involving a five-coordinate intermediate, whereas ammonia exchange on [Li(NH3)4]+ was found to follow an associative interchange (Ia) mechanism. The suggested mechanisms are discussed in reference to available experimental and theoretical data.
ISSN:0020-1669
1520-510X
DOI:10.1021/ic0487979