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A Density Functional Study of SN2 Substitution at Square-Planar Platinum(II) Complexes

Abstract
The energetics and reaction path in a series of S(N)2 substitution reactions at square-planar Pt(II) complexes have been studied by the application of density functional theory (DFT). Calculated free energies show excellent correlation with their experimental counterparts, while the enthalpic and entropic contributions individually indicate the presence of weak intermolecular interactions not acco...
Keywords
Chemistry
Platinum
Substitution (logic)
Planar
Square (algebra)
Crystallography
Stereochemistry
Catalysis
Organic chemistry
Geometry
Computer graphics (images)
Mathematics
Computer science
Programming language



A Density Functional Study of SN2 Substitution at Square-Planar Platinum(II) Complexes

A Density Functional Study of SN2 Substitution at Square-Planar Platinum(II) Complexes

Abstract
The energetics and reaction path in a series of S(N)2 substitution reactions at square-planar Pt(II) complexes have been studied by the application of density functional theory (DFT). Calculated free energies show excellent correlation with their experimental counterparts, while the enthalpic and entropic contributions individually indicate the presence of weak intermolecular interactions not acco...
Keywords
Chemistry
Platinum
Substitution (logic)
Planar
Square (algebra)
Crystallography
Stereochemistry
Catalysis
Organic chemistry
Geometry
Computer graphics (images)
Mathematics
Computer science
Programming language