Skip to main content

Research Repository

Advanced Search

All Outputs (4)

A pictorial visualization of normal mode vibrations of the fullerene C_60 molecule in terms of vibrations of a hollow sphere (2010)
Journal Article
Dunn, J. L. (2010). A pictorial visualization of normal mode vibrations of the fullerene C_60 molecule in terms of vibrations of a hollow sphere. Journal of Chemical Education, https://doi.org/10.1021/ed100263f

Understanding the normal mode vibrations of a molecule is important in the analysis of vibrational spectra. However, the complicated 3D motion of large molecules can be difficult to interpret. We show how images of normal modes of the fullerene molec... Read More about A pictorial visualization of normal mode vibrations of the fullerene C_60 molecule in terms of vibrations of a hollow sphere.

The effect of cooperative Jahn–Teller interactions on C60− anions (2010)
Journal Article
Moujaes, E. A., & Dunn, J. L. (2010). The effect of cooperative Jahn–Teller interactions on C60− anions. Journal of Physics: Condensed Matter, 22(8), https://doi.org/10.1088/0953-8984/22/8/085007

Singly charged buckminsterfullerene anions, C60−, are subject to a strong intramolecular T [circle times] h Jahn–Teller (JT) effect. When such ions interact with other C60− ions in a solid through a cooperative JT effect, they will be subject to an... Read More about The effect of cooperative Jahn–Teller interactions on C60− anions.

Calculation of images of oriented C_60 molecules using molecular orbital theory (2010)
Journal Article
Hands, I. D., Dunn, J. L., & Bates, C. A. (2010). Calculation of images of oriented C_60 molecules using molecular orbital theory. Physical Review B, 81(20), https://doi.org/10.1103/PhysRevB.81.205440

Using Hückel molecular-orbital theory, images are created to represent the electron distributions expected for a C60 molecule adsorbed on a substrate. Three different orientations of the C60 molecule on the substrate are considered. The effect of t... Read More about Calculation of images of oriented C_60 molecules using molecular orbital theory.

Jahn-Teller effects in molecules on surfaces with specific application to C_60 (2010)
Book Chapter
Hands, I. D., Dunn, J. L., Rawlinson, C. S., & Bates, C. A. (2010). Jahn-Teller effects in molecules on surfaces with specific application to C_60. In H. Köppel, D. R. Yarkony, & H. Barentzen (Eds.), The Jahn-Teller effect: fundamentals and implications for physics and chemistry. Springer-Verlag

Scanning tunnelling microscopy (STM) is capable of imaging molecules adsorbed onto surfaces with su±cient resolution as to permit intramolecular features to be discerned. Therefore, imaging molecules subject to the Jahn-Teller (JT) effect could, in... Read More about Jahn-Teller effects in molecules on surfaces with specific application to C_60.