Computational analysis of the selective cyclopropanation mode for the PtCl2-catalyzed cycloisomerization of a polyunsaturated precursor

Journal of Molecular Structure: THEOCHEM

Volumn 761, Issue 1-3, 2006, Pages 45-51

  Marco Contelles, José ^a   Soriano, Elena ^b  

^a INSTITUTO DE QUÍMICA ORGÁNICA GENERAL   (Spain)

^b INSTITUTO DE INVESTIGACIONES BIOMÉDICAS ALBERTO SOLS   (Spain)

Author keywords

Catalysis; Computational analysis; Cycloisomerization; DFT; PtCl2

Indexed keywords

EID: 33645415232     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.12.028     Document Type: Article

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54. -1 higher than the syn TS1, in accordance with experimental evidence. These data confirm the active involvement of the field effect induced by the propargylic substituent OR for directing the stereochemistry of the initial cyclopropanation (see Ref. [8c]).