N,N-difluorotris(tert-butyl)silylamine-the first organosilyl difluoroamine. Synthesis and computational studies.
The synthesis and characterization of the first stable trialkyl(difluoroamino)silane, R3SiNF2, as well as of R3SiNHF and R3SiN(CH3)F in moderate yields are reported. The (difluoroamino)silane has promise as a new synthon for the introduction of the -NF2 group into a variety of electrophilic inorganic and organic substrates. Activation barriers and relative energies were calculated for the unimolecular decompositions of Me3SiCF3 and t-Bu3SiNF2 using density functional theory (B3LYP/6-31G). The calculated activation energies confirm the long-assumed kinetic stability of Me3SiCF3.
Majumder
Utpal
U
Department of Chemistry, University of Idaho, Moscow, Idaho 83844-2343, USA.
Armantrout
John R
JR
Williams
Richard Vaughan
RV
Shreeve
Jean'ne M
JM