Vibrational Normal Modes of Polymer Nanoparticle Dimers Using the Time-Averaged Normal Coordinate Analysis Method

The recently developed time-averaged normal coordinate analysis method is employed to investigate the normal modes of polymer nanoparticle dimers. In addition to providing the first accurate calculation of vibrational frequencies and vibrational displacements in dimerized nanoparticles, the normal mode corresponding to the particle dimer vibration is observed for the first time. It is observed that the nanoparticle dimer vibration is only minimally coupled to the other internal motions of the particle, showing a true correspondence to the vibrational motion in diatomic species. Several other characteristic vibrations of the dimerized species are observed, which correspond to coupled indifferent modes of the monomer particles.