Symmetry, Energy Levels and Optical Selection Rules for Naphthalene Molecule
Symmetry, Energy Levels and Optical Selection Rules for Naphthalene Molecule
This Demonstration explores the spatial symmetries of the naphthalene molecule and relates them to electronic and optical properties. The naphthalene carbon skeleton is used to select the electron basis functions in the block-diagonal matrix Hamiltonian of the molecule in Hückel molecular-orbital theory. Each block in the matrix corresponds to some irreducible representation for classification of the energy levels. We also determine the single-electron electric dipole transitions allowed by symmetry for two mutually perpendicular polarizations ( and ) of the incident radiation.
p
z
Ox
Oy