The two‐dimensional potential energy surface for the ring puckering and ring twisting of 1‐silacyclopent‐3‐ene‐ d 0 , 1‐ d 1 , and 1, 1‐ d 2 Academic Article uri icon

abstract

  • The far-infrared spectra of 1-silacyclopent-3-ene and an isotopic mixture containing both 1-d1 and 1,1-d2 species have been recorded and analyzed. In addition to the main ring-puckering series, a weak side band series, resulting from molecules in the ring-twisting excited state, was observed for the undeuterated molecule. In the 330-520 cm-1 region of the infrared spectrum of the isotopic mixture, combination bands of the puckering with the SiHD or SiD2 rocking were observed. The ring-twisting fundamental was also assigned to the 380.6 cm-1 band in this region. Analysis of the data for all three isotopic species results in the following two-dimensional potential energy surface: V(cm-1)=2. 08×105x14-0.005×10 5x12+0.547×105x 22+1.70×105x12x22, where x1 and x2 are the ring-puckering and ring-twisting coordinates (in Å), respectively. The potential minimum corresponds to a planar conformation and the positive cross term shows the vibrational interaction to be anticooperative. © 1984 American Institute of Physics.

author list (cited authors)

  • Killough, P. M., & Laane, J.

citation count

  • 14

publication date

  • June 1984