Fe−TPP Coordination Network with Metalloporphyrinic Neutral Radicals and Face-to-Face and Edge-to-Face π−π Stacking
Data(s) |
07/04/2016
07/04/2016
25/06/2013
|
---|---|
Resumo |
Artículo científico Inorg. Chem. 2013, 52, 8074−8081 Compound ([FeTPPbipy]•)n (TPP = meso-tetraphenylporphyrin and bipy = 4,4′-bipyridine) is the first example of a Fe−TPP−bipy coordination network, and it consists of 1D polymers packed through face-to-face and edge-to-face π−π nteractions. The compound has been investigated by means of X-ray diffraction, IR, Mössbauer, UV−visible, and EPR pectroscopies, thermogravimetry, magnetic susceptibility measurements, and quantum-mechanical density functional theory (DFT) and timedependent DFT calculations. The chemical formula for this compound can be confusing because it is compatible with FeII and TPP2− anions. However, the spectroscopic and magnetic properties of this compound are consistent with the presence of low-spin FeIII ions and [FeTPPbipy]• neutral radicals. These radicals are proposed to be formed by the reduction of metalloporphyrin, and the quantum-mechanical calculations are consistent with the fact that the acquired electrons are located on the phenyl groups of TPP. |
Identificador |
Inorganic Chemistry 52 : 8074−8081 (2013) 0020-1669 1520-510X (online) http://hdl.handle.net/10810/17840 10.1021/ic4007372 |
Idioma(s) |
eng |
Publicador |
ACS Publications |
Relação |
http://pubs.acs.org/doi/abs/10.1021/ic4007372 |
Direitos |
info:eu-repo/semantics/openAccess |
Palavras-Chave | #metalloporphyrin #neutral radicals #DFT calculations #π−π interactions |
Tipo |
info:eu-repo/semantics/article |