C5Hn rings adsorbed on Pt(111):: a theoretical study

被引：18

作者：

Brizuela, G

Castellani, NJ

机构：

[1] Univ Nacl Sur, Dept Fis, RA-8000 Bahia Blanca, Argentina

[2] Univ Nacl Sur, CONICET, PLAPIQUI, RA-8000 Bahia Blanca, Argentina

来源：

SURFACE SCIENCE | 1998年 / 401卷 / 03期

关键词：

hydrocarbon adsorption; modelling; molecular orbital method; platinum;

D O I：

10.1016/S0039-6028(97)00883-2

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：

The adsorption of cyclopentane, cyclopentene and cyclopentadienyl on Pt(111) has been studied using a semiempirical molecular orbital method. Results show an increasing molecule-surface interaction according to the ring insaturation. Cyclopentadienyl undergoes an extended rehybridization, with frequency vibrations similar to those of metallocenes. (C) 1998 Elsevier Science B.V. All rights reserved.

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页码：297 / 311

页数：15

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