Multiple-scattering analysis of the X-ray absorption spectrum of Os3(CO)12 carbonyl cluster

✍ Scribed by A. Filipponi; A. Di Cicco; R. Zanoni; M. Bellatreccia; V. Sessa; C. Dossi; R. Psaro

• Publisher: Elsevier Science
• Year: 1991
• Tongue: English
• Weight: 544 KB
• Volume: 184
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(91)80023-q

✦ Synopsis

A new theoretical approach has been used to analyze the X-ray absorption cross section of Os>(CO) I? carbonyl cluster. The method is based on a direct tit of the experimental cross sectton which makes use of theoretical signals associated with relevant atomic configurations in the molecule. In the case of the OS-C=O arrangement, it has been found that the commonly employed multiple-scattering series converges slowly at low k values; the calculation has, therefore, been performed using a more efficient continued-fraction algorithm that provides the "exact" signal summed to all orders. An excellent agreement in the range k= 2.7-14.0 A-' has been obtained, basically using X-ray diffraction results.