Nature of Metal-ligand Bond in some derivatives of [(NHC(R))4Re(N)(Y)] complexes: (Y= F, Cl, Br; R=H, CH3, F, Cl, Br): A Theoretical Study

Theoretical studies on structure and nature of C→Re bonds in some derivatives of[(NHC(R))4Re(N)(Y)] (Y= F, Cl, Br R=H, CH3, F, Cl, Br) complexes have been reported at PBE1PBE/def2-SVP level of theory and We investigated the trend in interaction energy in [NHC(R2)Re(N)Y] complexes withsame substitutions by changing the R atoms from F to Br.

Keywords:

Theoretical study , Nature of Metal-ligand Bond , NHC Ligand