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Titolo:
AN IMPROVED REGULARIZATION TECHNIQUE FOR ANALYSIS OF ANOMALOUS X-RAY-SCATTERING DATA - PLATINUM URIDINE BLUE SULFATE AS AN EXAMPLE
Autore:
SERIMAA R; ETELANIEMI V; SERIMAA O; LAITALAINEN T; BIENENSTOCK A;
Indirizzi:
UNIV HELSINKI,DEPT PHYS,POB 9 FIN-00014 HELSINKI FINLAND CTR COMP SCI FIN-02101 ESPOO FINLAND UNIV HELSINKI,DEPT CHEM FIN-00014 HELSINKI FINLAND STANFORD SYNCHROTRON RADIAT LAB STANFORD CA 94305
Titolo Testata:
Journal of applied crystallography
, volume: 29, anno: 1996,
parte:, 4
pagine: 390 - 402
SICI:
0021-8898(1996)29:<390:AIRTFA>2.0.ZU;2-#
Fonte:
ISI
Lingua:
ENG
Soggetto:
SMALL-ANGLE SCATTERING; MAXIMUM-ENTROPY METHOD; AMORPHOUS MATERIALS; INTEGRAL-EQUATIONS; CRYSTAL-STRUCTURE; PYRIMIDINE BLUES; ALPHA-PYRIDONATE; COMPLEXES; DIFFRACTION; LIGANDS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
47
Recensione:
Indirizzi per estratti:
Citazione:
R. Serimaa et al., "AN IMPROVED REGULARIZATION TECHNIQUE FOR ANALYSIS OF ANOMALOUS X-RAY-SCATTERING DATA - PLATINUM URIDINE BLUE SULFATE AS AN EXAMPLE", Journal of applied crystallography, 29, 1996, pp. 390-402

Abstract

A new iterative way to apply the Tikhonov regularization method for solving partial structure factors from anomalous X-ray scattering data is presented. It is used to obtain the regularized Pt-Pt partial structure factor in a complex amorphous material, platinum uridine blue, containing many atomic species, utilizing experimental anomalous wide-angle X-ray scattering data. Since only platinum has a suitable absorption edge for the measurement, the problem is very much ill-posed, and without regularization only unreliable solutions are obtained. The average Pt-Pt distances, determined from the Pt-Pt partial distribution function, are 3.0 and 5.7 Angstrom and the coordination number at 3.0 Angstrom is about 1. Accordingly, the dominating Pt-structures of Pt-uridine blue are dinuclear. The success of this method indicates that we may use anomalous scattering to obtain important, detailed informationabout the structure of very complex amorphous materials.

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Documento generato il 24/11/20 alle ore 11:02:14