Journal
POLYHEDRON
Volume 52, Issue -, Pages 565-575Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.poly.2012.08.010
Keywords
Conformational isomerism; Variable temperature NMR; Molecular mechanics; Density functional theory; Coordination chemistry; Ionization isomerization; Alfred Werner
Categories
Funding
- National Cancer Institute [CA034992]
- NIH [1S10RR13886-01]
- Harvard/MIT CCNE, NIH [5-U54-CA151884]
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X-ray crystallographic analysis of the compound trans-[Pt(NH2C6H11)(2)I-2] 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)]X-2 into trans-[Pt(NH2C6H11)(2)X-2] (X = Cl, Br, I) was also studied and is discussed here with an emphasis on parallels to the work of Alfred Werner. (C) 2012 Elsevier Ltd. All rights reserved.
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