R. Schwendeman, G. Jacobs, T. Krigas
Feb 15, 1964
Citations
0
Influential Citations
62
Citations
Journal
Journal of Chemical Physics
Abstract
The pure rotational microwave spectra of seven isotopic species of cyclopropyl chloride have been examined and rotational constants assigned. The data are sufficient for a complete structure determination by the substitution method. The bond distances and bond angles obtained are r(C1C2)=1.513 A, r(C2C3)=1.515 A, r(CCl)=1.740 A, average r(CH)=1.08 A, ∠CCCl=118.7°, ∠ClCH=115.8°, and ∠HCH=116.2°. The quadrupole coupling constants of C3H5Cl35 in the principal inertial axis system are χaa=—56.64 Mc/sec, χbb=36.72 Mc/sec, and χcc=19.92 Mc/sec. These values are consistent with χzz=—71.4 Mc/sec, and ηbond=0.029 if the z axis and the CCl internuclear line are assumed to coincide, and with χzz=—73.5 Mc/sec if the charge distribution near the chlorine nucleus is assumed to be cylindrically symmetric.