A simplified normal coordinate analysis of the vibrations of adsorbed molecules

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

A simplified version of the Wilson FG normal coordinate analysis is proposed to calculate the intermolecular vibrational frequencies of adsorbed molecules. Intramolecular vibrations are neglected, and it is assumed that one of the interacting molecules is much larger than the other. A special G matrix is derived for the interacting rigid molecules. The force constant matrix is obtained by calculating analytically the second derivatives of the interaction energy. The method is illustrated by calculating the vibrational frequencies of a single ethylene molecule adsorbed on the basal plane of graphite.

Original languageEnglish
Pages (from-to)297-300
Number of pages4
JournalChemical Physics Letters
Volume155
Issue number3
DOIs
Publication statusPublished - Mar 3 1989

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vibration
Molecules
Vibrational spectra
molecules
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ethylene
graphite
Derivatives
matrices
interactions
energy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

A simplified normal coordinate analysis of the vibrations of adsorbed molecules. / Lukovits, I.

In: Chemical Physics Letters, Vol. 155, No. 3, 03.03.1989, p. 297-300.

Research output: Contribution to journalArticle

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