MOLECULAR ORBITAL ANALYSIS OF THE PRECURSOR STATE AND THE ACTIVATION BARRIER FOR CHEMISORPTION. 2. CO ADSORBED ON FIRST-ROW TRANSITION METALS.

Xing hong Feng, Eric Garfunkel

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The precursor state and the activation barrier for the associative chemisorption of carbon monoxide on first-row transition-metal surfaces (Ti-Cu) have been investigated by using semiempirical molecular orbital calculations. Results show an activation barrier for CO chemisorption. A weakly bound precursor state is also observed when CO is oriented parallel to the metal surface. The CO precursor state on nickel is the most stable one among the first-row transition metals.

Original languageEnglish
Pages (from-to)353-357
Number of pages5
JournalLangmuir
Volume3
Issue number3
Publication statusPublished - May 1986

Fingerprint

Molecular orbitals
Carbon Monoxide
Chemisorption
chemisorption
metal surfaces
Transition metals
molecular orbitals
Chemical activation
transition metals
activation
Orbital calculations
Carbon monoxide
carbon monoxide
Nickel
nickel
Metals

ASJC Scopus subject areas

  • Colloid and Surface Chemistry
  • Physical and Theoretical Chemistry

Cite this

MOLECULAR ORBITAL ANALYSIS OF THE PRECURSOR STATE AND THE ACTIVATION BARRIER FOR CHEMISORPTION. 2. CO ADSORBED ON FIRST-ROW TRANSITION METALS. / Feng, Xing hong; Garfunkel, Eric.

In: Langmuir, Vol. 3, No. 3, 05.1986, p. 353-357.

Research output: Contribution to journalArticle

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