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Titolo:
Geometry and hydration structure of Pt(II) square planar complexes [Pt(H2O)(4)](2+) and [PtCl4](2-) as studied by X-ray absorption spectroscopies andquantum-mechanical computations
Autore:
Ayala, R; Marcos, ES; Diaz-Moreno, S; Sole, VA; Munoz-Paez, A;
Indirizzi:
Univ Sevilla, CSIC, Dept Quim Inorgan, Inst Ciencia Mat, Seville 41092, Spain Univ Sevilla Seville Spain 41092 Inst Ciencia Mat, Seville 41092, Spain European Synchrotron Radiat Facil, F-38043 Grenoble 9, France European Synchrotron Radiat Facil Grenoble France 9 3 Grenoble 9, France Univ Sevilla, Dept Quim Fis, E-41012 Seville, Spain Univ Sevilla SevilleSpain E-41012 Dept Quim Fis, E-41012 Seville, Spain
Titolo Testata:
JOURNAL OF PHYSICAL CHEMISTRY B
fascicolo: 31, volume: 105, anno: 2001,
pagine: 7588 - 7593
SICI:
1520-6106(20010809)105:31<7588:GAHSOP>2.0.ZU;2-B
Fonte:
ISI
Lingua:
ENG
Soggetto:
ANHARMONIC INTERATOMIC POTENTIALS; CORRELATED MOLECULAR CALCULATIONS; NEAR-EDGE STRUCTURE; GAUSSIAN-BASIS SETS; METAL K-EDGE; FINE-STRUCTURE; MULTIPLE-SCATTERING; AQUEOUS-SOLUTIONS; EXAFS SPECTRA; SCANDIUM(III) HYDRATION;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
49
Recensione:
Indirizzi per estratti:
Indirizzo: Munoz-Paez, A Univ Sevilla, CSIC, Dept Quim Inorgan, Inst Ciencia Mat, Seville 41092, Spain Univ Sevilla Seville Spain 41092 Mat, Seville 41092, Spain
Citazione:
R. Ayala et al., "Geometry and hydration structure of Pt(II) square planar complexes [Pt(H2O)(4)](2+) and [PtCl4](2-) as studied by X-ray absorption spectroscopies andquantum-mechanical computations", J PHYS CH B, 105(31), 2001, pp. 7588-7593

Abstract

The geometrical structure of the tetraaquo and tetrachloro Pt(II) complexes in aqueous solutions has been studied by means of X-ray absorption spectroscopies (EXAFS and XANES), combined with quantum-mechanical computations. The latter were carried out to supply independent information about the arrangement of water molecules around the complexes. To this aim the [PtCl4](2-). (H2O)(2) and [Pt(H2O)(4)](2+). (H2O)(8) structures were optimized and the XANES spectra computed using this theoretical structural information were compared with the experimental spectra. From this comparison it was deduced that the hydration shell of the tetraaquo complex was responsible for a small feature of the XANES spectrum above the white line. Pt-Cl distance in[PtCl4](2-) units, both in the crystalline compound, K2PtCl4, and in aqueous solution, was found to be 2.30 Angstrom. Pt-O distance in [Pt(H2O)(4)](2) species was 2.02 Angstrom. No evidence of stable axial water molecules was found in the aquo complex case. Quantum-mechanical optimization of [PtCl4](2-). (H2O)(2) aggregate indicated that,vater molecules adopt axial orientation with a Pt-O distance of 3.3 Angstrom.

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Documento generato il 29/03/20 alle ore 22:52:35