Ab initio study of the effect of heteroatoms and bulky substituents on the strain energies of cyclosilanes

Organometallics

Volumn 22, Issue 23, 2003, Pages 4721-4724

  Kudo, Takako ^a   Akiba, Satoru ^a   Kondo, Yoriko ^a   Watanabe, Hamao ^a   Morokuma, Keiji ^b   Vreven, Thom ^b,c  

^a GUNMA UNIVERSITY   (Japan)

^b EMORY UNIVERSITY   (United States)

^c GAUSSIAN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPOSITION EFFECTS; MOLECULAR ORIENTATION; MOLECULAR VIBRATIONS; NUMERICAL ANALYSIS; PROBABILITY DENSITY FUNCTION; STRAIN; SUBSTITUTION REACTIONS;

BULKY SUBSTITUENTS; CYCLOSILANES; HETEROATOMS; STRAIN ENERGIES;

SILANES;

EID: 0345447038     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om030534j     Document Type: Article

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27. 4 = 14.0 kcal/mol. It appears that other factors, the number of Si-Si bonds (stabilizing factor) and Si-C bonds (destabilizing factor) and the type of alignment, for example, rather than the atomic size play an important role in the larger ring.