We report an experimental determination of the state-to-state rate constants of N2 in the vibrational ground state as a function of temperature, in the range 3,T,16 K. These rate constants were obtained by inversion of the master equation in a procedure not resorting to any particular fitting law. The coefficients of the master equation were obtained experimentally on the basis of Raman spectro...

We use a laser high-harmonics-based extreme-ultraviolet (EUV) polarimeter to determine the optical constants of elemental uranium in the wavelength range from 10 to 47 nm. The constants are extracted from the measured ratio of p-polarized to s-polarized reflectance from a thin uranium film deposited in situ. The film thickness is inferred from a spectroscopic ellipsometry measurement of the sam...

Using previous measurements and quantum chemical calculations to derive the molecular properties of the TiH molecule, we obtain new values for its ro-vibrational constants, thermochemical data, spectral line lists, line strengths, and absorption opacities. Furthermore, we calculate the abundance of TiH in M and L dwarf atmospheres and conclude that it is much higher than previously thought. We ...

Seventyseven a-type rotational transitions of Orthofluorobenzonitrile were observed and assigned in the 8 — 25 GHz frequency range. The spectrum was recorded using the high resolution microwave Fourier transform spectrometer constructed at Kiel University. For most transitions the l4N quadrupole hfs patterns could be fully resolved. The spectroscopic constants obtained by a fit to the observed ...

Extensive ab initio calibration calculations combined with extrapolations towards the infinite-basis limit lead to a ground-state dissociation energy of Be2, De=944±25 cm−1, substantially higher than the accepted experimental value, and confirming recent theoretical findings. Our best computed spectroscopic observables (expt. values in parameters) are G(1)−G(0)=223.7 (223.8), G(2) − G(1)=173.8 ...

The optical properties of 1-methyl-1,2,3,4,5-pentaphenylsilole thin films grown on silicon substrate were investigated using spectroscopic ellipsometry ~SE!. Accurate refractive index n and extinction coefficient k, in the wavelength range of 250 to 800 nm, were determined. Sellmeier equations, amorphous semiconductor model, and a three-oscillator classical Lorentz model were used to fit the da...

Five new binuclear Ni (II) complexes [Ni2L ].2ClO4 with various new unsymmetrical binucleating macrocyclic ligands were synthesized by cyclocondensation between N,N’-bis(3-formyl-5-methylsalicylidene) alkane/benzene/naphthalene-diimines (PC1-3 and 2,3-diamino -pyridine in the presence of Nickel (II) acetate and Nickel (II) perchlorate (1:1:1:1 molar ratio). Characterisation of these complexes w...

Generalized relativistic effective core potential (GRECP) calculations of spectroscopic constants of the HgH molecule ground and low excited states and the HgH+ cation ground state are carried out, with correlation included by the Fock-space relativistic coupled cluster (RCC) method. Basis set superposition errors (BSSE) are estimated and discussed. It is demonstrated that connected triple exci...

Spectroscopic constants for the ground and low-lying excited electronic states of the Ga2 molecule have been studied using MRSDCI and MRCPA methods with an extensive basis set of Gaussian-type functions. In this study, we are going to present spectroscopic constants and potential energy curves for the ground Pu and the excited Sg , Sg , Pu, Dg, …2†Sg and Su states, in which electron correlation...

The reliability of density functional theory and other electronic structure methods is examined for anharmonicities and spectroscopic constants of the ground electronic states of several diatomic molecules. The equilibrium bond length re , harmonic vibrational frequency ve , vibrational anharmonicity vexe , rotational constant Be , centrifugal distortion constant D̄e , and vibration-rotation int...