Microwave Spectrum of Propylene Imine

Abstract

The microwave spectrum of propylene imine has been investigated in the range 9–40 GHz. The rotational constants associated with two species of molecules were found to be 16 893.00, 6533.71, and 5761.26 MHz for the trans isomer and 16 665.66, 6558.64, and 5812.36 MHz for what is probably the cis isomer. The dipole-moment components for the trans isomer were found to be μa = 0.21±0.06, μb = 0.81±0.03, and μc = 1.36±0.02 D, and for the other species of molecule, μa = 1.28±0.01, μb = 0.95±0.08, and μc = 0.78±0.08 D.

Ab initio study of chiral recognition in the propylene imine·hydrogen peroxide complex

“…PI is a simple chiral building block, and its rotational and vibrational spectra have been reported. 10,11 It has two chiral centers: the carbon atom bonded to the methyl group and the nitrogen atom. Following the nomenclature used in the previous spectroscopic investigations, the relative positions of the imino proton and the methyl group are designated as cis (same side) and trans (opposite side).…”

“…Cis and trans-PI coexist and have been detected simultaneously in microwave studies. 11 This gives us the opportunity to study the subtle effect, in chiral interactions, caused by structural isomers. The HOOH molecule is an important molecule in photo-dissociation dynamics, 12 atmospheric chemistry, 13 and biochemical pathways.…”