On the cis ® trans isomerization of the square-planar [Pt(Cl)(SnCl3)(PH3)2] compound: ab initio gas phase reaction mechanism and solvent effects using continuum models

On the cis ® trans isomerization of the square-planar [Pt(Cl)(SnCl3)(PH3)2] compound: ab initio gas phase reaction mechanism and solvent effects using continuum models

The cis -> trans isomerization of the d8 square planar [Pt(Cl)(SnCl3)(PH3)2 ] compound was investigated at the MP4(SDQ)//MP2 level of theory. The optimized structures located on the gas-phase potential energy surface indicate that this reaction proceeds through a quasi-tetrahedral transition stat...

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Bibliographic Details
Main Authors: Rocha Willian R., Almeida Wagner B. de
Format: Article
Language:English
Published: Sociedade Brasileira de Química 2000-01-01
Series:Journal of the Brazilian Chemical Society
Subjects:
isomerization
square-planar [Pt(Cl)(SnCl3)(PH3)2 ]
ab initio
solvent effects
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532000000200003

Internet

http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532000000200003

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