Comparison of the flexibility of eight-membered tetrasiloxane and stannasiloxane rings: a crystallographic and computational study

Beckmann, Jens, Jurkschat, Klaus, Schurmann, Markus, Dakternieks, Dainis, Lim, Allan and Lim, Kieran 2001, Comparison of the flexibility of eight-membered tetrasiloxane and stannasiloxane rings: a crystallographic and computational study, Organometallics, vol. 20, no. 24, pp. 5125-5133.

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Title Comparison of the flexibility of eight-membered tetrasiloxane and stannasiloxane rings: a crystallographic and computational study
Author(s) Beckmann, Jens
Jurkschat, Klaus
Schurmann, Markus
Dakternieks, Dainis
Lim, Allan
Lim, Kieran
Journal name Organometallics
Volume number 20
Issue number 24
Start page 5125
End page 5133
Publisher ACS Publications
Place of publication San Diego, Calif
Publication date 2001-10
ISSN 0276-7333
1520-6041
Summary The syntheses and crystal structures of the eight-membered cyclo-stannasiloxanes cyclo-[t-Bu(OH)Si(OSnt-Bu2O)2Si(OH)t-Bu] (1) and cyclo-{t-Bu2Si[OSn(CH2SiMe3)2O]2Sit-Bu2} (2) as well as the synthesis of the six-membered cyclo-stannasiloxane cyclo-{t-Bu2Si[OSn(CH2SiMe3)2]2O} (3) are reported. Compound 1 crystallizes as its trans isomer, but the cis isomer dominates in solution. In agreement with the experimentally obtained results, ab initio and DFT calculations on the model compounds cyclo-(H2SiO)4 (4), cyclo-[H2Si(OSnH2)OSiH2] (5), cyclo-O(H2SiOSnH2)2O (6), and cyclo-[H2Si(OSiH2)OSnH2] (7) indicate that the energetic preference to adopt puckered structures increases and the ring flexibility decreases with an increasing number of tin atoms in the ring. The rich diversity of puckered conformations is attributed to the steric demand of the different organic substituents.
Language eng
Field of Research 030204 Main Group Metal Chemistry
HERDC Research category C1 Refereed article in a scholarly journal
ERA Research output type C Journal article
Copyright notice ©2001, American Chemical Society
Persistent URL http://hdl.handle.net/10536/DRO/DU:30008375

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