15min:
PIECES OF THE PROPELLANE PUZZLE: AN INVESTIGATION OF ROVIBRATIONAL COUPLING.

ROBYNNE KIRKPATRICK, JOSEPH W. NIBLER, Department of Chemistry, Oregon State University, 153 Gilbert Hall, Corvallis, OR 97331-4003; TONY MASIELLO, TOM BLAKE, Pacific Northwest National Laboratory, P. O. Box 999, Mail Stop K8-88, Richland, WA 99532; ALFONS WEBER, National Institute of Standards and Technology, Gaithersburg, MD 20899; ART MAKI, Retired, National Institute of Standards and Technology.

[1.1.1]Propellane (C5H6) is a small ring D3h molecule with an axial bond that continues to be a topic of debate. Recently propellane was subjected to high resolution spectroscopic scrutiny for the first time, and its nu,l,J,K structure is being determined. It was found that nu15, the axial antisymmetric C-C stretching mode that has a remarkably high dipole derivative, and the nu12 H wagging modes are rotationally coupled.