NEAR EDGE X-RAY-ABSORPTION FINE-STRUCTURE DETERMINATION OF ALKYL-CHAIN ORIENTATION - BREAKDOWN OF THE BUILDING-BLOCK SCHEME

被引：116

作者：

HAHNER, G ^{[1
]}

KINZLER, M ^{[1
]}

WOLL, C ^{[1
]}

GRUNZE, M ^{[1
]}

SCHELLER, MK ^{[1
]}

CEDERBAUM, LS ^{[1
]}

机构：

[1] INST THEORET CHEM,W-6900 HEIDELBERG,GERMANY

来源：

PHYSICAL REVIEW LETTERS | 1991年 / 67卷 / 07期

关键词：

D O I：

10.1103/PhysRevLett.67.851

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The orientation of hydrocarbon chains deposited on surfaces has been studied by near edge x-ray-absorption fine structure (NEXAFS). The so-called "building-block" scheme, which is generally used to predict angular dependences of NEXAFS resonances, is found to be inadequate for C-C sigma* resonances in larger molecules, in contrast to previous work [D. A. Outka, J. Stohr, J. P. Rabe, J. D. Swalen, and H. H. Rotermund, Phys. Rev. Lett. 59, 1321 (1987)]. Using the results of ab initio electronic structure calculations consistent results for several systems containing long hydrocarbon chains could be obtained.

引用

页码：851 / 854

页数：4

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