Ditopic complexes of silene H2SiCH2 with bidentate ligands Me2NCH2SiHnF3-n. Structures, formation energies, AIM and ELF analyses.期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Ditopic complexes of silene H₂SiCH₂ with bidentate ligands Me₂NCH₂SiH_nF_3-n. Structures, formation energies, AIM and ELF analyses.

Authors:	Vitaly G. Avakyan Evgeniya P. Doronina Valery F. Sidorkin

Affiliation:	^a Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, Leninsky Prospect, 29, 119991 GSP-1, Moscow, Russia ^b Photochemistry Center, Russian Academy of Sciences, Novatorov, 7a, 117421 Moscow, Russia ^c A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky, 1, 664033 Irkutsk, Russia

Abstract:	Ditopic complex formation of silene H₂SiCH₂ with bidentate ligands Me₂NCH₂SiH_nF_3-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 (H₂Si¹CH₂)·(Me₂NCH₂Si²H_nF_3-n) (n = 2, 3) ditopic complexes is partially preserved.

Keywords:	Ab initio calc. Silene Bidentate ligand Ditopic complex AIM and ELF analyses
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