Title of article :
Ditopic complexes of silene H2Sidouble bond; length as m-dashCH2 with bidentate ligands Me2NCH2SiHnF3-n. Structures, formation energies, AIM and ELF analyses.
Author/Authors :
Vitaly G. Avakyan، نويسنده , , Evgeniya P. Doronina، نويسنده , , Stephan L. Guselnikov، نويسنده , , Valery F. Sidorkin، نويسنده ,
Issue Information :
دوفصلنامه با شماره پیاپی سال 2011
Abstract :
Ditopic complex formation of silene H2Sidouble bond; length as m-dashCH2 with bidentate ligands Me2NCH2SiHnF3-n (n = 0–3) was studied at the MP4(SDQ(T)6-311G(d,p))//MP2/6-31G(d,p) levels of theory. The AIM and ELF analyses have shown that π-bonding in the silenic Si1C moiety in the relatively weak (H2Si1double bond; length as m-dashCH2)·(Me2NCH2Si2HnF3-n) (n = 2, 3) ditopic complexes is partially preserved.
Keywords :
Ab initio calc. , Bidentate ligand , Ditopic complex , AIM and ELF analyses , Silene
Journal title :
Journal of Organometallic Chemistry
Journal title :
Journal of Organometallic Chemistry
