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Theoretical Study of an Isolable Compound with a Short Silicon‐Silicon Triple Bond, ( t Bu 3 Si) 2 MeSiSi≡SiSiMe(Si t Bu 3 ) 2
Author(s) -
Takagi Nozomi,
Nagase Shigeru
Publication year - 2002
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/1099-0682(200211)2002:11<2775::aid-ejic2775>3.0.co;2-d
Subject(s) - chemistry , triple bond , silylation , silicon , computational chemistry , medicinal chemistry , double bond , organic chemistry , catalysis
The effects of a very bulky silyl group [R**, ‐SiMe(Si t Bu 3 ) 2 ] — developed recently by Wiberg and co‐workers — on silicon‐silicon triple bonding have been investigated by density functional theory in search of a stable disilyne. These calculations predict that R**Si≡SiR** is stable enough to be isolated and has a short Si‐Si bond length of 2.072 Å that is short enough to be a triple bond. (© Wiley‐VCH Verlag GmbH, 69451 Weinheim, Germany, 2002)