Density functional study on the bromination of heteroelement-substituted acetylenesстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:The reactions of heteroelement-containing alkynes H(3)SiC CH and R(3)MC CPh [R(3)M = H(3)Si, Et(3)Si, Et(3)Ge, (MeO)(3)Si, (EtO)(3)Ge, N(CH(2)CH(2)O)(3)Si, N(CH(2)CH(2)O)(3)Ge, Bu(3)Sn] with one and two bromine molecules were studied in terms of the density functional theory. Transition states along reaction channels leading to products of both addition at the triple bond (cis- and trans-dibromoalkenes and 1,1-dibromoalkenes) and cleavage of the M-C bond were localized.