The recent detections of CNCN and HNCCN+ are seen as further evidence of the large abundance of NCCN in the interstellar medium. The accurate determination of the abundance of these chemically related compounds from the observational spectra requires the prior calculation of collisional rate coefficients. In this work, we aimed at computing hyperfine resolved rate coefficients for the CNCN–He collisional system. First, we determined a new potential energy surface for the CNCN–He van der Waals complex from which we computed rotationally resolved excitation cross sections for energies up to 800 cm−1 using the quantum mechanical close-coupling approach. Then, hyperfine resolved transitions between the 30 low-lying pure rotational levels of CNCN were computed for temperatures ranging from 5 K to 150 K using an improved infinite order sudden approach. The analysis of the scattering results showed a propensity rule in favour of Δj = ΔF1 = ΔF for the hyperfine transitions and a slight dominance of the odd Δj transitions. Using these data, we carried out non-LTE radiative transfer calculations to simulate the excitation of CNCN in molecular clouds and to constrain the physical conditions of cold dark clouds. Preliminary results showed that the abundance of CNCN derived from observational spectra has to be revisited using these new collisional data.
Negative thermal expansion of gallium arsenide has been investigated through temperature dependent Extended X-ray Absorption Fine Structure (EXAFS) measurements. The bond thermal expansion coefficient bond α has been evaluated and compared to negative expansion coefficient tens α due to tension effects. The overall thermal expansion coefficient is the sum of bond α and tens α. Below 60 K, tens α is greater than bond α yielding to a negative expansion in this temperature region. Tension effects are progressively overcome by the stretching effects in the region 60-300 K. The asymmetry of nearest neighbors distribution is not negligible since the gaussian approximation underestimates the bond expansion by about 0.00426 Å. This error decreases when the temperature is lowered. The accuracy in the thermal expansion evaluation and the connection between third cumulant and thermal expansion are discussed.
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