GAS-PHASE REACTIONS OF C+(P-2) AND SI+(P-2) WITH OXYGEN BASES - A G2 AB-INITIO MOLECULAR-ORBITAL STUDY

被引：0

作者：

LUNA, A ^{[1
]}

MO, O ^{[1
]}

YANEZ, M ^{[1
]}

机构：

[1] UNIV AUTONOMA MADRID, DEPT QUIM, E-28049 MADRID, SPAIN

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1994年 / 116卷

关键词：

D O I：

暂无

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

G2 ab initio molecular orbital theory has been used to study the relative stabilities of the different products of the reactions of C+(2P) and Si+(2P) with several oxygen bases in the gas phase. The reactions of Si+ and C+ with formaldehyde and methanol as well as those of C+ with silanone and silanol were considered. Significant differences in C+ and Si+ reactivity have been found in all cases, as a consequence of the greater electronegativity of carbon with respect to silicon and to the enhanced stability of the Si-O linkages, owing to their sizeable Si+-O- polarity. Consistent with this, methyl substitution, for instance, considerably stabilizes these oxygen-containing cations when the substituted center is the silicon rather than the oxygen atom. On the contrary, silyl substitution is more stabilizing when the substituted center is the oxygen atom.

引用

页码：135 / 147

页数：13

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