Geometry of cyclopropenylidene radical cation(1+): Franck-Condon

J. Phys. Chem. 1992,96, 5676-5618

5676

Geometry of c-C3H;+. Franck-Condon Factors in Photoionization Are a Sensitive Probe of Polyatomic Ion Structure Horst Clauberg and Peter Chen*?+ Mallinckrodt Chemical Laboratory, Haruard University, Cambridge, Massachusetts 021 38 (Received: March 24, 1992; In Final Form: May 18, 1992)

We report a determination of the equilibrium bond lengths and angles for c-C3H:+ by comparison of Franck-Condon factor simulations to an experimentally determined photoelectron spectrum of c-C3H2 Using the equilibrium geometry of the c-C3H2 from recent high-resolution microwave spectroscopic studies as the reference structure, and ab initio frequencies and force constants, we find the geometry of c-C3H