2008
DOI: 10.1051/0004-6361:200810712
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Rotational excitation of formaldehyde by hydrogen molecules: ortho-H2CO at low temperature

Abstract: Aims. Rate coefficients for the rotational excitation of the ten lowest levels of ortho-H 2 CO by collisions with H 2 molecules are computed for kinetic temperatures in the range 5−100 K. Methods. Cross sections are obtained from extensive, fully converged, quantum-mechanical scattering calculations using a highly accurate potential energy surface computed at the CCSD(T) level with a basis set extrapolation procedure. Scattering calculations are carried out for H 2 molecules in both para and ortho rotational l… Show more

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Cited by 64 publications
(69 citation statements)
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“…These discrepancies are expected because the rates were computed by Green within the IOS scattering approach based on a coarse electron-gas approximation used for the PES. However, we point out that similar trends for He/H 2 have been found for other systems such as SO (Lique et al 2007), SiS (Lique et al 2008), HC 3 N (Wernli et al 2007a,b), and H 2 CO (Troscompt et al 2009), even though the PES's and the cross sections were computed with the same accuracy. For all these systems, the potential well for interaction with H 2 is deeper by a factor of about two than the one found for interaction with He, leading to larger cross sections and rates for collisions with H 2 .…”
Section: Para and Ortho H 2 Ratessupporting
confidence: 81%
“…These discrepancies are expected because the rates were computed by Green within the IOS scattering approach based on a coarse electron-gas approximation used for the PES. However, we point out that similar trends for He/H 2 have been found for other systems such as SO (Lique et al 2007), SiS (Lique et al 2008), HC 3 N (Wernli et al 2007a,b), and H 2 CO (Troscompt et al 2009), even though the PES's and the cross sections were computed with the same accuracy. For all these systems, the potential well for interaction with H 2 is deeper by a factor of about two than the one found for interaction with He, leading to larger cross sections and rates for collisions with H 2 .…”
Section: Para and Ortho H 2 Ratessupporting
confidence: 81%
“…The recent analysis of H 2 CO observations towards a cold molecular cloud by Troscompt et al (2009) confirms theoretical estimates (e.g. Flower et al 2006) that in molecular clouds the H 2 OPR is lower than 1.…”
Section: Continuum Emission: Modellingsupporting
confidence: 78%
“…This can be explained by excitation considerations, because of the smaller critical densities of the observed transitions of H 2 CO compared to CN N = 2−1. These transitions have similar Einstein coefficients, but the collisional rates of H 2 CO with para-H 2 (Troscompt et al 2009) are typically 5 to 10 times larger than those of CN with para-H 2 at 10 K (Kalugina et al 2012). On average, CN is brighter than H 2 CO (see Fig.…”
Section: So and H 2 Co As Outflow Or Envelope Tracersmentioning
confidence: 99%