Towards a detailed understanding of the NEXAFS spectra of bulk polyethylene copolymers and related alkanes

被引：67
作者：
Schöll, A
Fink, R
Umbach, E
Mitchell, GE
Urquhart, SG
Ade, H [1 ]
机构：
[1] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA
[2] Univ Wurzburg, Inst Phys, D-97074 Wurzburg, Germany
[3] Dow Chem, Midland, MI USA
[4] Univ Saskatchewan, Dept Chem, Saskatoon, SK S7N 5C9, Canada
来源：
CHEMICAL PHYSICS LETTERS | 2003年 / 370卷 / 5-6期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1016/S0009-2614(03)00215-X
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：
High energy resolution C ls near-edge X-ray absorption fine structure (NEXAFS) spectra of ethylene-1-alkene copolymers with systematic variations in comonomer content and thus systematic changes in branch length, branching ratio, and degree of crystallinity are presented. Spectral changes of the sigma(subset of-H)(*)/Rydberg and sigma(subset of-subset of)(*) features in these ideal model systems provide unambiguous experimental evidence for intermolecular interactions with profound effects on the spectral intensity, but only very small energy shifts. Ab initio calculations reproduce the experimental results in detail. The intermolecular interaction observed suggests that interpretation of NEXAFS spectra based on calculations of isolated molecules can be insufficient even in relatively weakly interacting macromolecules. 2003 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：834 / 841
页数：8
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