Electrostatic Hexapole State-Selection of the Asymmetric-Top Molecule Propylene Oxide

• Published in: The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2010-03, Vol.114 (9), p.3280-3286
• Main Authors: Che, Dock-Chil, Palazzetti, Federico, Okuno, Yasuhiro, Aquilanti, Vincenzo, Kasai, Toshio
• Format: Article
• Language: English
• Subjects: Computer Simulation; Epoxy Compounds - chemistry; Monte Carlo Method; Quantum Theory; Static Electricity; Temperature
• ISSN: 1089-5639; 1520-5215
• DOI: 10.1021/jp909553t

Rotational state-selection of the asymmetric-top molecule propylene oxide was carried out using an electrostatic hexapole field of 85-cm length. Molecular beam intensities were monitored by a quadrupole mass spectrometer. It was found that beam intensities of molecular beams for pure propylene oxide and those seeded in He and in Ar increased with increasing hexapole voltages. The hexapole voltage dependence of the beam intensity, which is called the focusing curve, was interpreted by computer simulation of the trajectories of molecules in the hexapolar field due to the Stark effect, as a function of rotational temperatures of molecular beams. The calculated best fit focusing curves, when compared with the experimental results, demonstrated that the rotational temperatures, associated with the distribution of states of a given rotational angular momentum J, are similar to the translational temperatures. It was found that the M = 0 states (where M is the projection of J along the direction of the electrostatic field) and negative values of the pseudoquantum number τ of propylene oxide can be selected using our experimental setup. These results suggest that the hexapole electric field is a tool even for the selection of rotational and orientation states of asymmetric-top molecules.