2010
DOI: 10.1007/s10509-010-0495-7
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Rotational excitation of aluminium monofluoride (AlF) by He atom at low temperature

Abstract: We report on the calculation of collision induced rotational excitation cross sections and rate coefficients of AlF by He atom at low temperature. These quantities were obtained by first computing the interaction potential energy surface (PES) of the AlF(X 1 + )-He( 1 S) van der Waals complex at the ab initio Coupled Cluster with Single and Double and perturbative Triple excitations [CCSD(T)] level of theory. The aug-cc-pVQZ Gaussian basis, to which was added a set of bond functions, was used for that purpose.… Show more

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Cited by 19 publications
(10 citation statements)
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References 32 publications
(33 reference statements)
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“…Also, the excitation temperature of AlF derived here is consistent with the kinetic temperature constrained from the single-dish survey (12). Using collision rates of AlF with p-H 2 and with He at 10 K (39,40), we calculated critical densities for all observed transitions. They range from 10 4 cm -3 for J=1-0 to 10 7 cm -3 for J=7-6 and are therefore comparable to critical densities of analogous transitions of low-density molecular tracers such as CO.…”
Section: Spectroscopic Data For Alf Isotopologuessupporting
confidence: 74%
“…Also, the excitation temperature of AlF derived here is consistent with the kinetic temperature constrained from the single-dish survey (12). Using collision rates of AlF with p-H 2 and with He at 10 K (39,40), we calculated critical densities for all observed transitions. They range from 10 4 cm -3 for J=1-0 to 10 7 cm -3 for J=7-6 and are therefore comparable to critical densities of analogous transitions of low-density molecular tracers such as CO.…”
Section: Spectroscopic Data For Alf Isotopologuessupporting
confidence: 74%
“…We have not included vibrationally excited states since no lines involving such states are observed in IRC +10216, and since vibrational line strengths for those molecules are poorly known. Recently, Gotoum et al (2011Gotoum et al ( , 2012 have calculated the rate coefficients for AlF de-excitation through collisions with He and para H 2 up to temperatures of 300 and 70 K, respectively. We have also used those rate coefficients for AlCl, which has a similar dipole moment than AlF.…”
Section: Molecular Datamentioning
confidence: 99%
“…In interstellar molecular clouds, the most abundant element hydrogen is predominantly in the form of H 2 molecules and therefore one has to account for the collisions between H 2 CSi and H 2 molecules. For convenience, H 2 is considered as structureless and is replaced by the He atom (Machin and Roueff 2007, Rabli and Flower 2010, Gotoum et al 2011, Spielfiedel et al 2012, Sharma et al 2014b, 2014c as both the He and H 2 have two protons and two electrons, and the interaction potential depends on charges of the colliding particles.…”
Section: Collisional Rate Coefficientsmentioning
confidence: 99%