DOES THE SCHROCK-TYPE METAL-SILYLENE COMPLEX EXIST

被引：13

作者：

NAKATSUJI, H ^{[1
]}

HADA, M ^{[1
]}

KONDO, K ^{[1
]}

机构：

[1] INST FUNDAMENTAL CHEM,SAKYO KU,KYOTO 606,JAPAN

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 196卷 / 05期

关键词：

D O I：

10.1016/0009-2614(92)85711-I

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：

We have studied theoretically the stability and the reactivity of the Schrock-type metal-silylene complexes (CH3)H2NbSiR2 (R = H, OH) as well as those of the Fischer-type (CO)4FeSiR2 and (CO)5CrSiR2 (R = H, OH). The stability of the Nb-Si bond in (CH3)H2NbSiR2 is larger than that of the Fe-Si and Cr-Si complexes which have been synthesized recently. This suggests that the Schrock-type metal silylene complex may be synthesized as a stable one. An orbital correlation diagram shows that there is an obvious metal-Si double bond in (CH3)H2NbSiR2. Both electrophiles and nucleophiles will attack Nb, though a possibility of nucleophilic attack on Si also exists. First singlet and triplet excited states of (CH3)H2NbSiH2 lie within 1 eV of the ground state. These excitations do not weaken the Nb-Si bonding, though the Si-H bonds are considerably weakened.

引用

页码：404 / 409

页数：6

共 19 条

[1] SUBSTITUENT EFFECTS ON THE CARBON SILICON DOUBLE-BOND - MONOSUBSTITUTED SILENES [J].