A simplified normal coordinate analysis of the vibrations of adsorbed molecules

✍ Scribed by István Lukovits

• Publisher: Elsevier Science
• Year: 1989
• Tongue: English
• Weight: 326 KB
• Volume: 155
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(89)85328-x

✦ Synopsis

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 D 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 ofgraphite.