Conformational isomerism of trans-[Pt(NH₂C₆H₁₁)₂I₂] and the classical Wernerian chemistry of [Pt(NH₂C₆H₁₁)₄]X₂ (X = Cl, Br, I)

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• 作者：Timothy C. Johnstone ; Stephen J. Lippard ; ^{lippard@mit.edu}
• 关键词：Conformational isomerism ; Variable temperature NMR ; Molecular mechanics ; Density functional theory ; Coordination chemistry ; Ionization isomerization ; Alfred Werner
• 刊名：Polyhedron
• 出版年：2013
• 出版时间：22 March, 2013
• 年：2013
• 卷：52
• 期：Complete
• 页码：565-575
• 全文大小：908 K

文摘

X-ray crystallographic analysis of the compound trans-[Pt(NH₂C₆H₁₁)₂I₂] revealed the presence of two distinct conformers within one crystal lattice. This compound was studied by variable temperature NMR spectroscopy to investigate the dynamic interconversion between these isomers. The results of this investigation were interpreted using physical (CPK) and computational (molecular mechanics and density functional theory) models. The conversion of the salts [Pt(NH₂C₆H₁₁)₄]X₂ into trans-[Pt(NH₂C₆H₁₁)₂X₂] (X = Cl, Br, I) was also studied and is discussed here with an emphasis on parallels to the work of Alfred Werner.