An Ab Initio MO Study of Detailed Mechanisms for Reactions of Mono-Substituted Disilenes Water.
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Accession number;99A0308712
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| Title;An Ab Initio MO Study of Detailed Mechanisms for Reactions of Mono-Substituted Disilenes Water. |
| Author;
TAKAHASHI M
(Inst. Physical And Chemical Res., Sendai, Jpn)
VESZPREMI T
(Inst. Physical And Chemical Res., Sendai, Jpn)
TSUTSUI S
(Tohoku Univ., Sendai, Jpn)
SAKAMOTO K
(Tohoku Univ., Sendai, Jpn)
KIRA M
(Inst. Physical And Chemical Res., Sendai, Jpn)
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Journal Title;Abstr Symp Organomet Chem Jpn
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Journal Code:L0853A
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ISSN:
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VOL.45th;NO.;PAGE.38-39(1998)
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| Figure&Table&Reference; |
| Pub. Country;Japan |
| Language;English |
| Abstract;Water-addition reactions to various monosubstituted disilenes(XHSi=SiH2; X=CH3, C.IDN.CH, NH2, OH, and F) were investigated by ab initio MO calculations. All transition states and intermediates for the reactions were precisely determined. In case of parent disilene, three pathways via the following steps were found to be possible from the van der Waals complex(Pvdw) to the products: electrophilic attack of water-hydrogen to the unsaturated silicon(path A), nucleophilic attack of the water-oxygen to the unsaturated silicon(path B), and a four-centered cyclic transition state(path C). Regioselectivity for substituted disilenes is explained resonably by path C. (author abst.) |
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