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

来源：

CHEMICAL PHYSICS LETTERS | 1991年 / 184卷 / 5-6期

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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