Computational Study of ۱-silaa llene and ۲-silaallene

Hydrogen Compounds with multiple bon ds to silicon have attra cted more and more interest since their first isolation in ۱۹۸۱, due to their unique properties compared to carbon an alogs [۱]. A lthough chemists have made and afford to synthesize compound which incl ude a cumulenic double bond to silicon [۱], th e first ۱-silaallene was synthesized and isolate d as a stable compound by West an d co-workers in ۱۹۹۳. It was stabilized by an extremely large steric hindrance around the Si=C=C moiety and characterized by X-ray crystallography, revealing that it is slightly b ent (۱۷۳.۵°) in contrast to the carbon analogue allene, which is linear [۲]. Interpre tation of an experimental IR spectrum of silaallenes is a difficult task d ue to the pr oblems enco untered in their synthesis and isolation [۱-۲].

کلیدواژه ها:

۱-silaallene ، ۲-sil aallene ، vibrational frequencies ، normal modes ، IR