MULTIPLE-SCATTERING ANALYSIS OF THE X-RAY ABSORPTION-SPECTRUM OF OS3(CO)12 CARBONYL CLUSTER

被引:25
作者
FILIPPONI, A
DICICCO, A
ZANONI, R
BELLATRECCIA, M
SESSA, V
DOSSI, C
PSARO, R
机构
[1] UNIV CAMERINO,DIPARTIMENTO MATEMAT & FIS,I-62032 CAMERINO,ITALY
[2] UNIV ROME LA SAPIENZA,DIPARTMENTO FIS,I-00185 ROME,ITALY
[3] UNIV ROMA TOR VERGATA 2,DIPARTIMENTO SCI & TECNOL CHIM,I-00173 ROME,ITALY
[4] UNIV MILAN,DIPARTIMENTO CHIM NORGAN & MET ORGAN,I-20122 MILAN,ITALY
[5] UNIV MILAN,CTR CNR,I-20122 MILAN,ITALY
关键词
D O I
10.1016/0009-2614(91)80023-Q
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A new theoretical approach has been used to analyze the X-ray absorption cross section of Os3(CO)12 carbonyl cluster. The method is based on a direct fit of the experimental cross section 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 angstrom-1 has been obtained, basically using X-ray diffraction results.
引用
收藏
页码:485 / 490
页数:6
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