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X-ray crystallographic structure and physical properties of the pentacoordinated [TPAFeCl](+) complex
- Authors
- Kim, Mihyang; Kim, Yong-Ung; Han, Jaehong
- Issue Date
- Aug-2007
- Publisher
- PERGAMON-ELSEVIER SCIENCE LTD
- Keywords
- synthesis; non-heme oxygenase; pentacoordinated ferrous compound; X-ray structure; ZINDO/S
- Citation
- POLYHEDRON, v.26, no.14, pp 4003 - 4008
- Pages
- 6
- Journal Title
- POLYHEDRON
- Volume
- 26
- Number
- 14
- Start Page
- 4003
- End Page
- 4008
- ISSN
- 0277-5387
- Abstract
- A new pentacoordinated ferrous compound [TPAFeCl](+) (TPA = tris(2-pyridylmethyl)amine) was synthesized from the reaction between H(3)TPA(ClO4)(3) and Fe(P"Pr-3)(2)Cl-2 in MeCN. The unique trigonal bipyramidal [TPAFeCl](+) complex was characterized as a S = 2 high spin complex based on the crystallographic structure, magnetic susceptibility, H-1 NMR spectrum and semi-empirical ZINDO/S calculations. Crystal of [TPAFeCl](2)(FeCl4)(MeCN)(2) was monoclinic with a = 12.019(2) angstrom, b = 27.550(5) angstrom, c = 14.138(2) angstrom, beta = 94.168(3)degrees, V = 4668.9(13) angstrom(3), space group C/c, and the unit cell contained a racemic mixture of Delta and Lambda isomers with ferrous tetrachloride anion. (c) 2007 Elsevier Ltd. All rights reserved.
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