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The extent to which the spatial orientation of internally and translationally cold ammonia molecules can be controlled as molecules pass out of a quadrupole guide and through different electric field regions is examined. Ammonia molecules are collisionally cooled in a buffer gas cell, and are subsequently guided by a three-bend electrostatic quadrupole into a detection chamber. The orientation of ammonia molecules is probed using (2+1) resonance-enhanced multiphoton ionisation (REMPI), with the laser polarisation axis aligned both parallel and perpendicular to the time-of-flight axis. Even with the presence of a near-zero field region, the ammonia REMPI spectra indicate some retention of orientation. Monte Carlo simulations propagating the time-dependent Schrödinger equation in a full basis set including the hyperfine interaction enable the orientation of ammonia molecules to be calculated – with respect to both the local field direction and a space-fixed axis – as the molecules pass through different electric field regions. The simulations indicate that the orientation of ∼95% of ammonia molecules in JK=11 could be achieved with the application of a small bias voltage (17V) to the mesh separating the quadrupole and detection regions. Following the recent combination of the buffer gas cell and quadrupole guide apparatus with a linear Paul ion trap, this result could enable one to examine the influence of molecular orientation on ion-molecule reaction dynamics and kinetics.

A new line list including positions and absolute intensities (in the form of Einstein $A$ values and oscillator strengths) has been produced for the OH ground X\DP\ state rovibrational (Meinel system) and pure rotational transitions. All possible transitions are included with v$\primed$ and v$\Dprimed$ up to 13, and $J$ up to between 9.5 and 59.5, depending on the band. An updated fit to determine molecular constants has been performed, which includes some new rotational data and a simultaneous fitting of all molecular constants. The absolute line intensities are based on a new dipole moment function, which is a combination of two high level ab initio calculations. The calculations show good agreement with an experimental v=1 lifetime, experimental $��_\mathrm{v}$ values, and $��$v=2 line intensity ratios from an observed spectrum. To achieve this good agreement, an alteration in the method of converting matrix elements from Hund's case (b) to (a) was made. Partitions sums have been calculated using the new energy levels, for the temperature range 5-6000 K, which extends the previously available (in HITRAN) 70-3000 K range. The resulting absolute intensities have been used to calculate O abundances in the Sun, Arcturus, and two red giants in the Galactic open and globular clusters M67 and M71. Literature data based mainly on [O I] lines are available for the Sun and Arcturus, and excellent agreement is found., 17 pages, 8 figues. 7 supplementary files: dipole moment functions (OH-X-DMFs.txt), equilibrium constants (OH-X-Equilibrium_Constants.txt), partition function (OH-X-Q_5-6000K.dat), PGOPHER file with molecular constants and transition matric elements (OH-XX.pgo), vibrational Einstein A and f values (OH-XX-Avv_fvv.txt), line list (OH-XX-Line_list.txt), and OH-Transformation_Equation_Extra.docx

The infrared spectrum of the weakly bound CO2–Xe complex is studied in the region of the carbon dioxide ν3 fundamental vibration (≈2350 cm−1), using a tunable OPO laser source to probe a pulsed supersonic slit jet expansion. The Xe isotope dependence of the spectrum is modelled by scaling the vibrational and rotational parameters, with the help of previous microwave data. The scaling model provides a good simulation of the observed broadening and (partial) splitting of transitions in the fundamental band, and it is essential for understanding the intermolecular bending combination band where some transitions are completely split by isotope effects. The combination band is influenced by a significant bend–stretch Coriolis interaction and by the relatively large Xe isotope dependence of the intermolecular stretch frequency. The weak CO2–Xe spectrum corresponding to the (0111) ← (0110) hot band of CO2 is also detected and analysed, providing a measurement of the symmetry breaking of the CO2 bending mode induced by the nearby Xe atom. This in-plane/out-of-plane splitting is determined to be 2.14 cm−1.

The infrared spectrum of the weakly bound CO2–Xe complex is studied in the region of the carbon dioxide ν3 fundamental vibration (≈2350 cm−1), using a tunable OPO laser source to probe a pulsed supersonic slit jet expansion. The Xe isotope dependence of the spectrum is modelled by scaling the vibrational and rotational parameters, with the help of previous microwave data. The scaling model provides a good simulation of the observed broadening and (partial) splitting of transitions in the fundamental band, and it is essential for understanding the intermolecular bending combination band where some transitions are completely split by isotope effects. The combination band is influenced by a significant bend–stretch Coriolis interaction and by the relatively large Xe isotope dependence of the intermolecular stretch frequency. The weak CO2–Xe spectrum corresponding to the (0111) ← (0110) hot band of CO2 is also detected and analysed, providing a measurement of the symmetry breaking of the CO2 bending mode induced by the nearby Xe atom. This in-plane/out-of-plane splitting is determined to be 2.14 cm−1.