Shuffling lithiated mixed aggregates: NMR and Car-Parrinello molecular dynamics reveal an unexpected associative pathway.
The exchange of Me(6)Li aggregated to a lithium amide by (7)LiCl leads to a specific isotope distribution whose microscopic origin is assigned to an edge-to-edge interaction between the R(2)NLi-MeLi aggregate and (LiCl)(2) by NMR and Car-Parrinello molecular dynamics.
Paté
Franck
F
IRCOF, UMR CNRS 6014, Université et INSA de Rouen, 76821, Mont St Aignan Cedex, France.
Gérard
Hélène
H
Oulyadi
Hassan
H
de la Lande
Aurélien
A
Harrison-Marchand
Anne
A
Parisel
Olivier
O
Maddaluno
Jacques
J