INTRAMOLECULAR VIBRATIONAL COUPLING OF ADSORBATES PROBED USING HREELS AND AB-INITIO CALCULATIONS - ETHOXIDES ADSORBED ON MO(110)

被引：26

作者：

UVDAL, P

MACKERELL, AD

WIEGAND, BC

机构：

[1] UNIV MARYLAND,SCH PHARM,DEPT BIOMED CHEM,BALTIMORE,MD 21201

[2] PROCTER & GAMBLE CO,CINCINNATI,OH 45241

来源：

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA | 1993年 / 64-5卷

关键词：

D O I：

10.1016/0368-2048(93)80079-2

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

High resolution electron energy loss spectroscopy (HREELS) has been used to record vibrational spectra of intermediate ethoxides, non-deuterated and deuterated, adsorbed on Mo(110). The vibrational shifts induced by deuteration can not be interpreted within the harmonic approximation and therefore strictly not within the normal mode concept. It is demonstrated how ab initio molecular orbital calculations of small ethoxide-metal clusters give results in agreement with experimentally observed vibrational spectra.

引用

页码：193 / 199

页数：7

共 18 条

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