### 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 language | English |
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Pages (from-to) | 297-300 |

Number of pages | 4 |

Journal | Chemical Physics Letters |

Volume | 155 |

Issue number | 3 |

DOIs | |

Publication status | Published - Mar 3 1989 |

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### 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.

Research output: Contribution to journal › Article

*Chemical Physics Letters*, vol. 155, no. 3, pp. 297-300. https://doi.org/10.1016/0009-2614(89)85328-X

}

TY - JOUR

T1 - A simplified normal coordinate analysis of the vibrations of adsorbed molecules

AU - Lukovits, I.

PY - 1989/3/3

Y1 - 1989/3/3

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=45149143685&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=45149143685&partnerID=8YFLogxK

U2 - 10.1016/0009-2614(89)85328-X

DO - 10.1016/0009-2614(89)85328-X

M3 - Article

VL - 155

SP - 297

EP - 300

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 3

ER -