0022-2852/$ see front matter 2010 Elsevier Inc. A doi:10.1016/j.jms.2010.09.005 ⇑ Corresponding author at: Department of Chem University of Arizona, 933 N. Cherry Ave., Tucson, AZ 5554. E-mail address: [email protected] (L.M. Ziury 1 Present address: National Radio Astronomy Obs Charlottesville, VA 22903, USA. The pure rotational spectrum of TiS in its XDr ground state has been measured us...

Two-color ( 1 + 1) REMPI (resonantly enhanced multiphoton ionization) photoelectron spectroscopy is used to probe the NO photofragments produced by the UV photodissociation of methyl nitrite, i.e., CH30NO + hv ...... CH30NO*(S2 ) ...... CH30· (X)+ NO(X, v, J). The photofragments are produced in their ground electronic states but with high rotational and translational energy. NO fragment angular...

We present extensive equilibrium and out-of-equilibrium molecular-dynamics simulations of a liquid of symmetric dumbbell molecules, for constant packing fraction, as a function of temperature and molecular elongation. We compute diffusion constants as well as odd and even orientational correlators. The notations odd and even refer to the parity of the order l of the corresponding Legendre l pol...

One dimensional post-normal shock flow calculations are carried out using state-ofthe-art thermochemical nonequilibrium models. Two-temperature, four-temperature, and electronic master equation coupling models are adopted in the present work. In the fourtemperature model, the rotational nonequilibrium is described by Parker and modified Park models. In the electronic master equation coupling mo...

We present the first high-resolution rotational spectrum of an artificial molecular rotary motor. By combining chirped-pulse Fourier transform microwave spectroscopy and supersonic expansions, we captured the vibronic ground-state conformation of a second-generation motor based on chiral, overcrowded alkenes. The rotational constants were accurately determined by fitting more than 200 rotationa...

Photodissociation of p-aminobenzoic acid at 266 nm was investigated by probing the nascent OH photoproduct employing the laser-induced fluorescence technique. It was found that the nascent OH radical was vibrationally cold and its rotational state distribution conformed to be a Boltzmann behavior, characterized by a rotational temperature of 1040±110 K. The rotational energy of OH was determine...

Using a NASA database of state-to-state transition rates for N+N2, master equation studies are performed for various nonequilibrium heat bath conditions. In these master equation studies, relaxation of the rotational and vibrational modes, time variation of chemical composition, reaction rate coefficients, and average rotational and vibrational energy losses due to dissociation are each conside...

The Doppler-free two-photon excitation spectrum of the vibrationless A ‘Btc jt ‘A, transition of difluorodiaxirine (F&N,) has been recorded with a resolution of 15 MHz using a cw single-mode dye laser coupled to an external concentric resonator. The asymmetric rotor spectrum has been analysed and more than 350 lines randomly selected from all five branches were assigned in order to fit the grou...